Trinitro-m-cresol

243.13 g/mol

243.13

210-027-1

3182

0216

DTXSID0075285

Yellow crystals|Yellow needles

158 Ų

log Kow = 2.09 (est)

1.75 g/cu cm

109.5 °C

Explodes at 150 °C

0.01 M|In water, 2200 mg/L at 25 °C|In water, 339.4 mg/L at 25 °C (est)|Readily soluble in alcohol, ether and acetone

1.3X10-6 mm Hg at 25 °C

Henry's Law constant = 1.2X10-10 atm-cu m/mole at 25 °C (est)

pKa = 2.53 (est)

Under prolonged exposure to fire or heat the containers may explode violently.|Can react vigorously with oxidizing materials|Hydroxyl radical reaction rate constant = 2.8X10-13 cu cm/molec-sec at 25 °C (est)

Slightly soluble in water.

Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic

Explosive

TRINITROMETACRESOL is a nitroaryl derivative. It is sensitive to heat. Nitroaryls 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.

Enthalpy of Combustion: -3217.7 kJ/mol

SRP: 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 air, soil or water; effects on animal, aquatic and plant life; and conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.

Can react vigorously with oxidizing materials.

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)

|Danger|H201: Explosive; mass explosion hazard [Danger Explosives]|P210, P230, P240, P250, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, 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)

A severe explosion hazard when shocked or exposed to heat. Explodes when heated above 150 °C. Trinitrocresol is not as powerful a high explosive as TNT or picric acid.

Cargo fire: Do not fight fire when fire reaches cargo! Cargo may explode! Stop all traffic and clear the area for at least 1600 meters (1 mile) in all directions and let burn. Do not move cargo or vehicle if cargo has been exposed to heat. Tire or vehicle fire: Use plenty of water - flood it! If water is not available, use carbon dioxide, dry chemical or dirt. If possible, and without risk, use unmanned hose holders or monitor nozzles from maximum distance to prevent fire from spreading to cargo area. Pay special attention to tire fires as re-ignition may occur. Stand by, at a safe distance, with extinguisher ready for possible re-ignition.|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.

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.

Non-fire response: 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.

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. Trinitr-m-cresol is included on the dangerous goods list.|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. Trinitro-m-cresol is included on the dangerous goods list.

Trinitro-meta-cresol was not detected (detection limit not reported) in leachate waters of a disposal site of a former ammunition plant in Stadtallendorf, Germany(1).

IDENTIFICATION AND USE: Trinitro-meta-cresol is used in explosives. HUMAN STUDIES: There are no data available. ANIMAL STUDIES: It was found highly toxic when tested as a single ip dose in adult rats observed for seven days.

Trinitro-meta-cresol's production and use in bursting charges and other high explosive uses(1) 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 3760(SRC), determined from a structure estimation method(2), indicates that trinitro-meta-cresol is expected to have slight mobility in soil(SRC). The pKa of trinitro-meta-cresol is 2.53(3), indicating that this compound will exist almost entirely 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 from moist soil is not expected because the compound exists as an anion and anions do not volatilize. Trinitro-meta-cresol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.3X10-6 mm Hg at 25 °C(4). Screening studies using structurally similar compounds (2,4,6-trinitrophenol and trinitroresorcinol) suggest that trinitro-meta-cresol is resistant to biodegradation under aerobic conditions(5-7). Trinitro-meta-cresol contains chromophores that absorb at wavelengths >290 nm(8) and, therefore, may be susceptible to direct photolysis on surfaces exposed to sunlight(SRC).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 3760(SRC), determined from a structure estimation method(2), indicates that trinitro-meta-cresol is expected to adsorb to suspended solids and sediment(SRC). A pKa of 2.53(3) indicates trinitro-meta-cresol 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(SRC). According to a classification scheme(4), an estimated BCF of 11(SRC), from an estimated log Kow of 2.09(2) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Screening studies using structurally similar compounds (2,4,6-trinitrophenol and trinitroresorcinol) suggest that trinitro-meta-cresol is resistant to biodegradation under aerobic conditions(5-7). Trinitro-meta-cresol is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(8). Trinitro-meta-cresol contains chromophores that absorb at wavelengths >290 nm(8) and, therefore, may be susceptible to direct photolysis on water surfaces exposed to sunlight(SRC).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), trinitro-meta-cresol, which has a vapor pressure of 1.3X10-6 mm Hg at 25 °C(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase trinitro-meta-cresol is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 58 days(SRC), calculated from its rate constant of 2.8X10-13 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Particulate-phase trinitro-meta-cresol may be removed from the air by wet and dry deposition(SRC). Trinitro-meta-cresol contains chromophores that absorb at wavelengths >290 nm(4) and, therefore, may be susceptible to direct photolysis by sunlight(SRC).

The rate constant for the vapor-phase reaction of trinitro-meta-cresol with photochemically-produced hydroxyl radicals has been estimated as 2.8X10-13 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 58 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Trinitro-meta-cresol is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(2). Trinitro-meta-cresol contains chromophores that absorb at wavelengths >290 nm(2) and, therefore, may be susceptible to direct photolysis by sunlight(SRC). Under simulated solar radiation, the structurally similar 2,4,6-trinitrophenol concentration in seawater decreased from 3,510.55 umoles/L to 3,206.05 umoles/L after 47 days exposure(3).

An estimated BCF of 1 was calculated in fish for trinitro-meta-cresol(SRC), using an estimated log Kow of 2.09(1) and a regression-derived equation(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC). BCF values of <0.24 to <2.2 were measured in carp (Cyprinus carpio) exposed to the structurally similar 2,4,6-trinitrophenol over a 6 week exposure period(3).

Using a structure estimation method based on molecular connectivity indices(1), the Koc of trinitro-meta-cresol can be estimated to be 3760(SRC). According to a classification scheme(2), this estimated Koc value suggests that trinitro-meta-cresol is expected to have slight mobility in soil. The pKa of trinitro-meta-cresol is 2.53(3), indicating that this compound will exist almost entirely 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).

A pKa of 2.53(1) indicates trinitro-meta-cresol will exist almost entirely in the anion form at pH values of 5 to 9 and, therefore, volatilization from water surfaces or moist soil is not expected to be an important fate process(SRC). Trinitro-meta-cresol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.3X10-6 mm Hg(2).

Occupational exposure to trinitro-meta-cresol may occur through inhalation and dermal contact with this compound at workplaces where trinitro-meta-cresol is produced or used. (SRC)

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)

/SRP:/ 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. /Explosives/|/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations 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 ... . Anticipate seizures 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 ... . /Explosives/|/SRP:/ 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. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . 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. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) or lorazepam (Ativan) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Explosives/|/SRP:/ 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 if 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. /Aromatic hydrocarbons and related compounds/|For more Antidote and Emergency Treatment (Complete) data for Trinitro-meta-cresol (9 total), please visit the HSDB record page.

Trinitrocresol is not as powerful a high explosive as TNT or picric acid.

Transformation processes of nitroaromatic compounds (NAC) are described that lead to polar and highly hydrophilic metabolites in ammunition waste water. For the identification of proposed metabolites, several analytical methods for the separation and determination of these compounds were developed and applied to the investigation of a former ammunition plant and its surroundings. The compound classes which were investigated include nitro and amino substituted toluenesulfonic acids, nitrobenzoic acids, aminobenzoic acids and nitromethylphenols. Method development was usually done with high performance liquid chromatography and ion pairing or ion suppression techniques. In the leachate water of a disposal site of a former ammunition plant in Stadtallendorf, Germany, 15 compounds from the above-mentioned categories have been found to be present in concentrations up to a few hundred micrograms. /Nitroaromatic compounds/