Benzotrichloride

  • (Trichloromethyl)benzene
  • Phenylchloroform
  • Toluene trichloride
  • alpha,alpha,alpha-Trichlorotoluene
Formula
C6H5CCl3
Structure
Description
Clear, colorless to yellowish, oily liquid, penetrating odor, fumes in air.
Uses
Chemical intermediate for benzoyl chloride, dyes-eg, vat yellow 2 & basic green 4, benzotrifluoride (pesticide & drug intermediate), 4-alkoxy-2-hydroxybenzophenone uv stabilizer, ion-exchange resins (former use) & benzoic acid. (Former use).

Registry Numbers and Inventories.
CAS
98-07-7
EC (EINECS/ELINCS)
202-634-5
EC Index Number
602-038-00-9
EC Class
Carcinogenic Category 2; Toxic; Harmful; Irritant
R 45 22 23 37/38 41
RTECS
XT9275000
RTECS class
Tumorigen; Mutagen
UN (DOT)
2226
Merck
13,1110
Beilstein/Gmelin
508152
Beilstein Reference
4-05-00-00820
RCRA
U023
Swiss Giftliste 1
G-1242
Canada DSL/NDSL
NDSL
US TSCA
Listed
New Zealand
Listed
Japan ENCS (MITI)
Listed
Korea ECL
Listed

Properties.
Formula
C7H5Cl3
Formula mass
195.48
Melting point, °C
-4.8
Boiling point, °C
220.6
Vapor pressure, mmHg
1.35 @ 50 C
Vapor density (air=1)
6.77
Saturation Concentration
1300 ppm (0.13%) at 45.8 C (calculated)
Density
1.38 g/cm3 (14 C)
Solubility in water
decomposes
Viscosity
2.18 cp (25 C)
Surface tension
38.03 g/s2 (20 C)
Refractive index
1.5536 (19 C)
Partition coefficient, pKow
2.92
Heat of fusion
14.0 kJ/mol
Heat of vaporization
43.2 kJ/mol
Heat of combustion
-3684 kJ/mol

Hazards and Protection.
Storage
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.
Handling
Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Do not allow contact with water. Wash clothing before reuse. Keep from contact with moist air and steam.
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 gloves to prevent skin exposure. Clothing: Wear appropriate 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
Absorb spill with inert material, (e.g., dry sand or earth), then place into a chemical waste container. Clean up spills immediately, using the appropriate protective equipment. Remove all sources of ignition. Provide ventilation. Do not get water inside containers.
Disposal code
2
Stability
Stable under normal temperatures and pressures. Stable at room temperature in closed containers under normal storage and handling conditions.
Incompatibilities
Reacts with water, lime, ammonia, strong alkalis, organic amines, chlorates and acids.
Decomposition
Hydrogen chloride, phosgene, carbon monoxide, carbon dioxide.

Fire.
Flash Point,°C
108
Autoignition, °C
420
Upper exp. limit, %
6.5
Lower exp. limit, %
2.1
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. Use water spray to keep fire-exposed containers cool. Containers may explode in the heat of a fire. Extinguishing media: Do NOT get water inside containers. Cool containers with flooding quantities of water until well after fire is out. In case of fire use water spray, dry chemical, carbon dioxide, or appropriate foam.
Fire potential
Slightly flammable.
Hazards
This material may react violently with water. Fire may produce irritating or poisonous gases. Flammable/poisonous gases may accumulate in tanks and hopper cars. Materials may ignite combustibles (wood, paper, oil, etc.). Produces toxic and corrosive fumes when it reacts with water or steam. Similar to hydrochloric acid; material will react with water or steam to produce toxic and corrosive fumes. Hydrolyzes in presence of water forming benzoic and hydrochloric acids.
Combustion products
Fire will produce irritating, corrosive and/or toxic gases.
Health
4
 
Flammability
1
 
 
Reactivity
0
 

Health.
Exposure limit(s)
MAK: ppm; mg/m3; III A2 (carcinogen in animal experiments) (1994).
Carcinogin
G-A2, I-2A, N-2, CP65
Poison_Class
3
Exposure effects
May cause cancer in humans.
   Ingestion
Causes gastrointestinal irritation with nausea, vomiting and diarrhea. May cause central nervous system depression.
   Inhalation
May be fatal if inhaled. Causes respiratory tract irritation. May cause severe irritation of the respiratory tract with sore throat, coughing, shortness of breath and delayed lung edema. Causes chemical burns to the respiratory tract. Exposure produces central nervous system depression.
   Skin
Causes skin irritation.
   Eyes
Contact with eyes may cause severe irritation, and possible eye burns. Lachrymator. May cause eye irritation and possible damage.

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 not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. DO NOT use mouth-to-mouth respiration.
   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
Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.

Transport.
UN number
2226
Response guide
Hazard class
8
Packing Group
II
 
USCG CHRIS Code
TCR
 
HS Code
2903 69 90
 
Std. Transport #
4932311