2,4,6-Trinitrobenzoic acid

257.11400

257.11

204-958-2

134ID308V9

133453

0215

Orthorhombic or rhombohedral crystals from water

2916399090

174.76000

2.67900

Trinitrobenzoic acid appears as a yellow crystalline solid high explosive. Easily ignited and burns vigorously when dry. Insoluble in water. Will burn when wet, although may be difficult to ignite. Produces toxic oxides of nitrogen during combustion. May explode under exposure to heat or fire. Primary hazard is blast of an instantaneous explosion, not flying projectiles or fragments.

1.87g/cm3

228.7 °C

435.8ºC at 760mmHg

193.6ºC

1.694

In water, 2.012X10+4 mg/L at 23.5 deg C

7.23X10-9 mm Hg at 25 deg C (est)

Explodes by heat or shock.

Henry's Law constant = 2.62X10-14 atm cu m/mol at 25 °C (est)

pKa = 0.65 at 25 °C

Sublimes with decomposition forming carbon dioxide and trinitrobenzene|Dangerous, explodes by heat or shock|When heated to decomposition it emits toxic fumes of NOx.

Highly flammable. Insoluble in water.

Acids, Strong Oxidizing

Highly Flammable

Aromatic nitro compounds, such as TRINITROBENZOIC ACID, range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups. All heavy metal salts of this compound are explosive on heating or impact.

1.1

0215

3

R36/37/38:Irritating to eyes, respiratory system and skin .

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S37/39:Wear suitable gloves and eye/face protection . S24/25:Avoid contact with skin and eyes .

Xi

P210, P230, P240, P250, P280, P370+P380, P372, P373, P401, P501

H201

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal and plant life; and conformance with environmental and public health regulations.

Reacts with heavy metals to form heat- or impact-sensitive explosive salts.|During oxidation of TNT /trinitrotoluene/ in sulfuric acid to trinitrobenzoic acid, stirring of the viscous reaction mixture must be very effective to prevent added portions of solid dichromate causing local ignition.

Excerpt from ERG Guide 112 [Explosives* - Division 1.1, 1.2, 1.3 or 1.5]: MAY EXPLODE AND THROW FRAGMENTS 1600 METERS (1 MILE) OR MORE IF FIRE REACHES CARGO. For information on "Compatibility Group" letters, refer to Glossary section. (ERG, 2016)|Flammable - 4th degree, Reactive - 4th degree

|Danger|H201: Explosive; mass explosion hazard [Danger Explosives]|P210, P230, P240, P250, P280, P370+P380, P372, P373, P401, and P501

Excerpt from ERG Guide 112 [Explosives* - Division 1.1, 1.2, 1.3 or 1.5]: Isolate spill or leak area immediately for at least 500 meters (1/3 mile) in all directions. LARGE SPILL: Consider initial evacuation for 800 meters (1/2 mile) in all directions. FIRE: If rail car or trailer is involved in a fire, ISOLATE for 1600 meters (1 mile) in all directions; also, initiate evacuation including emergency responders for 1600 meters (1 mile) in all directions. (ERG, 2016)

Excerpt from ERG Guide 112 [Explosives* - Division 1.1, 1.2, 1.3 or 1.5]: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. DO NOT OPERATE RADIO TRANSMITTERS WITHIN 100 METERS (330 FEET) OF ELECTRIC DETONATORS. DO NOT CLEAN-UP OR DISPOSE OF, EXCEPT UNDER SUPERVISION OF A SPECIALIST. (ERG, 2016)

Excerpt from ERG Guide 112 [Explosives* - Division 1.1, 1.2, 1.3 or 1.5]: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. (ERG, 2016)|Wear appropriate chemical protective gloves and goggles.

Dry, the material is easily ignited and will burn vigorously. The wet material can burn though it may require some effort to ignite.

The dry material is a high explosive.|Explodes by heat or shock.

If material on fire or involved in fire: Dangerously explosive. Do not fight fires in a cargo of explosives. Evacuate area and let burn. /Trinitrobenzoic acid, dry/|Evacuation: If fire becomes uncontrollable, consider evacuation of one (1) mile radius. /Trinitrobenzoic acid, dry/|If material on fire or involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Cover all suspected material with wet sand or earth to prevent ignition until material can be permanently disposed of. /Trinitrobenzoic acid, wetted with not less than 10% water by mass/|If material on fire or involved in fire: Dangerously explosive. Flood with water. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. /Trinitrobenzoic acid, wetted with not less than 30% water by mass/|For more Fire Fighting Procedures (Complete) data for 2,4,6-Trinitrobenzoic acid (6 total), please visit the HSDB record page.

The primary hazard is from blast effect where the entire load can explode instantaneously and not from flying projectiles and fragments. /Trinitrobenzoic acid, dry/

If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep spilled material wet. Wet spilled material bfore picking it up. Do not attempt to sweep up dry material. /Trinitrobenzoic acid, dry/|If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Cover all suspected material with wet sand or earth to prevent ignition until material can be permanently disposed of. /Trinitrobenzoic acid, wetted with not less than 10% water by mass/|Personnel protection: Avoid breathing dusts, and fumes from burning material ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water. /Trinitrobenzoic acid, dry; trinitrobenzoic acid, wetted with not less than 10% water by mass/|If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Keep spilled material wet. Do not attempt to sweep up dry material. /Trinitrobenzoic acid, wetted with not less than 30% water by mass/|Personnel protection: Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water. /Trinitrobenzoic acid, wetted with not less than 30% water by mass/

/GUIDE 113: FLAMMABLE SOLIDS - TOXIC (WET/DESENSITIZED EXPLOSIVE)/ Fire or Explosion: Flammable/combustible material. May be ignited by heat, sparks or flames. DRIED OUT material may explode if exposed to heat, flame, friction or shock; treat as an explosive (GUIDE 112). Keep material wet with water or treat as an explosive (Guide 112). Runoff to sewer may create fire or explosion hazard. /Trinitrobenzoic acid, wetted with not less than 10% water; Trinitrobenzoic acid, wetted with not less than 30% water/|/GUIDE 113: FLAMMABLE SOLIDS - TOXIC (WET/DESENSITIZED EXPLOSIVE)/ Health: Some are toxic and may be fatal if inhaled, swallowed or absorbed through skin. Contact may cause burns to skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may cause pollution. /Trinitrobenzoic acid, wetted with not less than 10% water; Trinitrobenzoic acid, wetted with not less than 30% water/|/GUIDE 113: FLAMMABLE SOLIDS - TOXIC (WET/DESENSITIZED EXPLOSIVE)/ Public Safety: CALL Emergency Response Telephone Number. ... Isolate spill or leak area immediately for at least 100 meters (330 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Ventilate closed spaces before entering. /Trinitrobenzoic acid, wetted with not less than 10% water; Trinitrobenzoic acid, wetted with not less than 30% water/|/GUIDE 113: FLAMMABLE SOLIDS - TOXIC (WET/DESENSITIZED EXPLOSIVE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. /Trinitrobenzoic acid, wetted with not less than 10% water; Trinitrobenzoic acid, wetted with not less than 30% water/|For more DOT Emergency Guidelines (Complete) data for 2,4,6-Trinitrobenzoic acid (8 total), please visit the HSDB record page.

No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./|The International Air Transport Association (IATA) Dangerous Goods Regulations are published by the IATA Dangerous Goods Board pursuant to IATA Resolutions 618 and 619 and constitute a manual of industry carrier regulations to be followed by all IATA Member airlines when transporting hazardous materials.|The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article.

D003; A waste containing 2,4,6-trinitrobenzoic acid may (or may not) be characterized a hazardous waste following testing for the reactivity characteristics as prescribed by the Resource Conservation and Recovery Act (RCRA) regulations.

D003; A solid waste containing 2,4,6-trinitrobenzoic acid may become characterized as a hazardous waste when subjected to testing for reactivity as stipulated in 40 CFR 261.23, and if so characterized, must be managed as a hazardous waste.

2,4,6-Trinitrobenzoic acid was detected at 0.80 mg/L (0.34% of total sample) in raw trinitrotoluene wastes (pH of 2) from a counter-current, continuous flow trinitrotoluene manufacturing process(1). 2,4,6-Trinitrobenzoic acid was detected, not quantified, in the leachate water of a disposal site of a former ammunition plant in Stadtallendor, Germany, sampling date not reported(2).

/AQUATIC SPECIES/ Aqueous samples containing various explosives, their reduced metabolites, as well as related compounds were subjected to the luminescent bacterium Vibrio fischeri NRRLB-11177 to determine ... the EC50 values of 24 test compounds ... /2,4,6-trinitrobenzoic acid/ (TNBA)must be classified in the category "very toxic to aquatic organisms."

2,4,6-Trinitrobenzoic acid's production and use as a pH indicator(1) and in explosive compositions(2) may result in its release to the environment through various waste streams(SRC).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 200(SRC), determined from a structure estimation method(2), indicates that 2,4,6-trinitrobenzoic acid is expected to have moderate mobility in soil(SRC). However, the pKa of 2,4,6-trinitrobenzoic acid is 0.65(3), indicating that this compound will almost entirely exist in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4). Volatilization of 2,4,6-trinitrobenzoic acid from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.62X10-14 atm-cu m/mole(SRC), using a fragment constant estimation method(5). 2,4,6-Trinitrobenzoic acid is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 7.23X10-9 mm Hg at 25 °C(SRC), determined from a fragment constant method(6). After 180 minutes, very little oxygen consumption by phenol-adapted biological cultures occurred with 2,4,6-trinitrobenzoic acid(7), suggesting that biodegradation is not an important environmental fate process in soil(SRC).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 200(SRC), determined from a structure estimation method(2), indicates that 2,4,6-trinitrobenzoic acid is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 2.62X10-14 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). A pKa of 0.65(5) indicates 2,4,6-trinitrobenzoic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(6). According to a classification scheme(7), an estimated BCF of 3.2(SRC), from an estimated log Kow of 0.23(8) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). After 180 minutes, very little oxygen consumption by phenol-adapted biological cultures occurred with 2,4,6-trinitrobenzoic acid(9), suggesting that biodegradation is not an important environmental fate process in water(SRC).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2,4,6-trinitrobenzoic acid, which has an estimated vapor pressure of 7.23X10-9 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely in the particulate phase in the ambient atmosphere. Particulate-phase 2,4,6-trinitrobenzoic acid may be removed from the air by wet or dry deposition(SRC). 2,4,6-Trinitrobenzoic acid does not contain chromophores that absorb at wavelengths >290 nm(3) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

2,4,6-Trinitrobenzoic acid is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(1). 2,4,6-Trinitrobenzoic acid does not contain chromophores that absorb at wavelengths >290 nm(1) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

An estimated BCF of 3.2 was calculated in fish for 2,4,6-trinitrobenzoic acid(SRC), using an estimated log Kow of 0.23(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

Using a structure estimation method based on molecular connectivity indices(1), the Koc of 2,4,6-trinitrobenzoic acid can be estimated to be 200(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2,4,6-trinitrobenzoic acid is expected to have moderate mobility in soil. However, the pKa of 2,4,6-trinitrobenzoic acid is 0.65(3), indicating that this compound will almost entirely exist in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4).

The Henry's Law constant for 2,4,6-trinitrobenzoic acid is estimated as 2.62X10-14 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 2,4,6-trinitrobenzoic acid is expected to be essentially nonvolatile from water surfaces(2). 2,4,6-Trinitrobenzoic acid is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 7.23X10-9 mm Hg(SRC), determined from a fragment constant method(3).

Occupational exposure to 2,4,6-trinitrobenzoic acid may occur through inhalation and dermal contact with this compound at workplaces where 2,4,6-trinitrobenzoic acid is produced or used(SRC). Mist from hot charges, leaking lines, steaming operations, and hot drainage ditches are sources of skin exposure and contamination of the work environment in the production of aromatic nitro compounds(1).

The disposition and metabolism of 2,4,6-trinitrotoluene (TNT) was studied in rats, mice, rabbits, and dogs following oral, dermal or intratracheal admin of single doses of 14(C)-ring labeled compound. TNT was extensively metabolized in all species. Trinitrobenzoic acid was detected occasionally.

Excerpt from ERG Guide 112 [Explosives* - Division 1.1, 1.2, 1.3 or 1.5]: Fire may produce irritating, corrosive and/or toxic gases. (ERG, 2016)

Excerpt from ERG Guide 112 [Explosives* - Division 1.1, 1.2, 1.3 or 1.5]: Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. (ERG, 2016)

Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Organic acids and related compounds/|Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist respirations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Activated charcoal is not effective ... . Do not attempt to neutralize because of exothermic reaction. Cover skin burns with dry, sterile dressings after decontamination ... . /Organic acids and related compounds/|Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Early intubation, at the first sign of upper airway obstruction, may be necessary. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Organic acids and related compounds/

TRINITROBENZOIC ACID, WET, CONTAINING @ LEAST 10% WATER; TRINITROBENZOIC ACID, WET, CONTAINING LESS THAN 30% WATER.

Fire Hazards -> Flammable - 4th degree, Reactive - 4th degree