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98-08-8

Basic Information
CAS No.: 98-08-8
Name: Benzene,(trifluoromethyl)-
Molecular Structure:
Molecular Structure of 98-08-8 (Benzene,(trifluoromethyl)-)
Formula: C7H5F3
Molecular Weight: 146.11
Synonyms: Toluene, a,a,a-trifluoro- (6CI,8CI);Toluene, a-trifluoro- (3CI);(1,1',1''-Trifluoromethyl)benzene;(Trifluoromethyl)benzene;1',1',1'-Trifluorotoluene;Benzenyl fluoride;Benzylidyne fluoride;NSC 8038;Oxsol 2000;Phenylfluoroform;Trifluoro(phenyl)methane;UN 238;a,a,a-Trifluorotoluene;
EINECS: 202-635-0
Density: 1.188 1.118 g/cm>3
Melting Point: -29 °C(lit.)
Boiling Point: 104.769 °C at 760 mmHg
Flash Point: 12.222 °C
Solubility: water: <0.1 g/100 mL at 21 °C
Appearance: Clear colourless to light yellow liquid
Hazard Symbols: FlammableF,ToxicT,CorrosiveC,DangerousN
Risk Codes: 45-46-11-36/38-48/23/24/25-65-51/53-39/23/24/25-23/24/25
Safety: 53-26-36/37-45-62-61-23-16
Transport Information: UN 2338 3/PG 2
PSA: 0.00000
LogP: 2.70540
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Chemistry

IUPAC Name: trifluoromethylbenzene
Molecular Formula: C7H5F3
Molecular Weight: 146.109810 g/mol
Melting Point: -29 °C(lit.)
Boiling Point: 102 °C(lit.)
Flash Point: 54 °F
Appearance: clear colourless to light yellow liquid
Solubility: acetone, ethyl ether, ethanol, benzene, carbon tetrachloride
Water Solubility: <0.1 g/100 mL at 21 °C
Enthalpy of Vaporization: 32.63 kJ/mol 
Vapour Pressure: 35.3 mmHg at 25°C
density: 1.19 g/mL at 20 °C(lit.)
refractive index: n20/D 1.414(lit.)
storage temp.: 2-8°C
Merck: 4,1110
BRN: 06908
EINECS: 202-635-0
Synonyms of Trifluoromethylbenzene (98-08-8):
Benzotrifluoride ; ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE ; A,A,A-TRIFLUOROTOLUENE ; BENZOTRIFLUORIDE ; SURROGATE STANDARD, EPA 601/2 ; Toluene trifluoride ; (TRIFLUOROMETHYL)-BENZENE ; TRIFLUORO TOLUENE ; (Trifluormethyl)-benzol
Categories of Trifluoromethylbenzene (98-08-8):
Aromatic Hydrocarbons (substituted) & Derivatives;Fluorous Chemistry;Fluorous Solvents;Synthetic Organic Chemistry

Uses

Trifluoromethylbenzene (98-08-8) is used as an organic solvents and an intermediate for medicine, dyes.

Toxicity Data With Reference

Toxicity Information of Trifluoromethylbenzene (98-08-8):
1.frog LDLo subcutaneous 870mg/kg (870mg/kg)
AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT)
PARASYMPATHOMIMETIC
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 130, Pg. 250, 1928.
2.mammal (species unspecified) LC50 inhalation 92gm/m3 (92000mg/m3)
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(3), Pg. 6, 1986.
3.mouse LC50 inhalation 92240mg/m3/2H (92240mg/m3)
"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 25, 1982.
4.mouse LD50 intraperitoneal 100mg/kg (100mg/kg)  
National Technical Information Service. Vol. AD277-689.
5.mouse LD50 oral 10000mg/kg (10000mg/kg)
BEHAVIORAL: GENERAL ANESTHETIC
BEHAVIORAL: EXCITEMENT
BEHAVIORAL: MUSCLE WEAKNESS
Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 10, Pg. 131, 1968.
6.rat LC50 inhalation 70810mg/m3/4H (70810mg/m3)
"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 25, 1982.
7.rat LD50 oral 15gm/kg (15000mg/kg)
BEHAVIORAL: GENERAL ANESTHETIC
BEHAVIORAL: EXCITEMENT
BEHAVIORAL: MUSCLE WEAKNESS
Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 10, Pg. 131, 1968.

Safety Profile

Safety Information of Trifluoromethylbenzene(98-08-8):
Hazard Codes:F ,T ,C ,N
Risk Statements:11-65-51/53-23/24/25 
R11:Highly flammable. 
R65:Harmful: may cause lung damage if swallowed. 
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
Safety Statements:61-23-16 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets. 
S23:Do not breathe vapour. 
S16:Keep away from sources of ignition.
RIDADR:UN 2338 3/PG 2
WGK Germany:3
RTECS:XT9450000
Hazard Note:Flammable/Corrosive
HazardClass:3
PackingGroup:II

Specification

First Aid Measures of Trifluoromethylbenzene(98-08-8):
Eyes:Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. 
Skin:Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:Get medical aid. Wash mouth out with water.
Inhalation:Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Storage of Trifluoromethylbenzene(98-08-8):
Keep away from sources of ignition. Store in a cool, dry place. Keep container closed when not in use. Flammables-area.