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Home > Encyclopedia > 2-Nitrobenzotrifluoride

2-Nitrobenzotrifluoride

2-Nitrobenzotrifluoride structure

2-Nitrobenzotrifluoride 

structure
  • CAS No:

    384-22-5

  • Formula:

    C7H4F3NO2

  • Chemical Name:

    2-Nitrobenzotrifluoride

  • Synonyms:

    Benzene,1-nitro-2-(trifluoromethyl)-;Toluene,α,α,α-trifluoro-o-nitro-;1-Nitro-2-(trifluoromethyl)benzene;o-Nitrobenzotrifluoride;2-Nitro-α,α,α-trifluorotoluene;α,α,α-Trifluoro-o-nitrotoluene;o-(Trifluoromethyl)nitrobenzene;2-(Trifluoromethyl)nitrobenzene;2-Nitrobenzotrifluoride

  • Categories:

    Organic Chemistry  >  Organic Fluorine Compound

Description

white to light yellow crystal powder


2-nitro-alpha,alpha,alpha-trifluorotoluene appears as yellow crystals. Insoluble in water. (NTP, 1992)


2-nitro-alpha,alpha,alpha-trifluorotoluene appears as yellow crystals. Insoluble in water. (NTP, 1992)

2-Nitrobenzotrifluoride Basic Attributes

191.11

191.11

206-855-8

OVB3L8GIVJ

2306

DTXSID4025793

2904909090

Characteristics

45.8

2.58

2-nitro-alpha,alpha,alpha-trifluorotoluene appears as yellow crystals. Insoluble in water. (NTP, 1992)

1.4±0.1 g/cm3

32.5 °C

217 °C

95°C

1.473

H2O: insoluble

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Insoluble in water.

Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic

A halogenated aromatic nitro compound. Aromatic nitro compounds 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.

Safety Information

III

6.1(b)

3431

23/24/25-36/37/38

26-36/37/39

XT3480000

Xi,T

Toxic/Irritant

Stable under normal temperatures and pressures.

P260, P261, P264, P270, P271, P280, P284, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P311, P312, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

H301+H311+H331

This compound is combustible. (NTP, 1992)

Fires involving this compound can be controlled using drychemicals, carbon dioxide or Halon extinguishers. (NTP, 1992)

Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]: As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. SPILL: Increase, in the downwind direction, as necessary, the isolation distance shown above. FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)

Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Cover with plastic sheet to prevent spreading. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS. (ERG, 2016)

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992)

Drug Information

Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]: Highly toxic, may be fatal if inhaled, swallowed or absorbed through skin. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. (ERG, 2016)

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. IMMEDIATELY call a physician and be prepared to transport the victim to a hospital even if no symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Generally, the induction of vomiting is NOT recommended outside of a physician's care due to the risk of aspirating the chemical into the victim's lungs. However, if the victim is conscious and not convulsing and if medical help is not readily available, consider the risk of inducing vomiting because of the high toxicity of the chemical ingested. Ipecac syrup or salt water may be used in such an emergency. IMMEDIATELY transport the victim to a hospital. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

2-Nitrobenzotrifluoride Use and Manufacturing

Methods of Manufacturing

NITRATION OF BENZOTRIFLUORIDE

Uses

RESEARCH CHEMICAL

Production

(1977) NOT PRODUCED COMMERCIALLY IN US|(1979) NOT PRODUCED COMMERCIALLY IN US

Computed Properties

Molecular Weight:191.11
XLogP3:2.6
Hydrogen Bond Acceptor Count:5
Exact Mass:191.01941286
Monoisotopic Mass:191.01941286
Topological Polar Surface Area:45.8
Heavy Atom Count:13
Complexity:199
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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