4-Chloro-3,5-dinitrobenzotrifluoride

  • Benzene, 2-chloro-1,3-dinitro-5-(trifluoromethyl)
  • Benzotrifluoride, 4-chloro-3,5-dinitro
  • Toluene, 4-chloro-3,5-dinitro-alpha,alpha,alpha-trifluoro
  • 4-Chloro-3,5-dinitro-alpha,alpha,alpha-trifluorotoluene
  • 3,5-Dinitro-4-chloro-alpha,alpha,alpha-trifluorotoluene
Formula
C7H2ClF3N2O4
Structure
Description
Yellow crystals.
Uses
Intermediate in synthesis of herbicide trifluralin.

Registry Numbers and Inventories.
CAS
393-75-9
EC (EINECS/ELINCS)
206-889-3
EC Class
harmful, irritant
R 20/22 24 36/37/38
S 26 28 36/37/39 45
RTECS
XS9065000
RTECS class
Other
UN (DOT)
2811
Beilstein/Gmelin
1220937
Canada DSL/NDSL
NDSL
US TSCA
Listed
Austrailia AICS
Listed

Properties.
Formula
C7H2ClF3N2O4
Formula mass
270.55
Melting point, °C
56 - 58
Boiling point, °C
250
Vapor pressure, mmHg
0.007 (25 C)
Solubility in water
Insoluble
Partition coefficient, pKow
3.43
Heat of vaporization
49.7 kJ/mol

Hazards and Protection.
Storage
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Handling
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation.
Protection
Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure.
Respirators
Follow the OSHA respirator regulations found in 29CFR 1910.134 or European Standard EN 149. Always use a NIOSH or European Standard EN 149 approved respirator when necessary.
Small spills/leaks
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, using the appropriate protective equipment. Avoid generating dusty conditions. Provide ventilation.
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
Incompatibilities
Oxidizing agents, strong bases.
Decomposition
Hydrogen chloride, nitrogen oxides, carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride, nitrogen.

Fire.
Flash Point,°C
122
Fire fighting
Wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Runoff from fire control or dilution water may cause pollution. Extinguishing media: Use agent most appropriate to extinguish fire. In case of fire use water spray, dry chemical, carbon dioxide, or appropriate foam.
Health
3
 
Flammability
0
 
 
Reactivity
0
 

Health.
Exposure effects
May cause methemoglobinemia, which is characterized by chocolate-brown colored blood, headache, weakness, dizziness, breath shortness, cyanosis, rapid heart rate, unconsciousness and possible death. Effects may be delayed.
   Ingestion
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May cause methemoglobinemia, cyanosis, convulsions, and death. May be harmful if swallowed.
   Inhalation
Causes respiratory tract irritation. May cause methemoglobinemia, cyanosis, convulsions, tachycardia, dyspnea, and death. Can produce delayed pulmonary edema.
   Skin
Causes skin irritation. May be fatal if absorbed through the skin. May be harmful if absorbed through the skin.
   Eyes
Causes eye irritation. May cause chemical conjunctivitis.

First aid
 
   Ingestion
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
   Inhalation
Remove from exposure to fresh air immediately. If breathing is difficult, give oxygen. Get medical aid. DO NOT use mouth-to-mouth respiration. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
   Skin
Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
   Eyes
Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.

Transport.
UN number
2811
Response guide
HS Code
2904 90 85