Benzotrifluoride Chemical Properties

Melting point:

−29 °C(lit.)

Boiling point:

102 °C(lit.)

Density 

1.19 g/mL at 20 °C(lit.)

vapor density 

5.04

vapor pressure 

53 hPa (25 °C)

refractive index 

n20/D 1.414(lit.)

Flash point:

54 °F

storage temp. 

Store below +30°C.

solubility 

0.45g/l Hydrolysis

form 

Liquid

color 

Clear colorless

Specific Gravity

1.199

Odor

aromatic odor

explosive limit

1.4-9.3%(V)

Water Solubility 

<0.1 g/100 mL at 21 ºC

Merck 

14,1110

BRN 

1906908

Exposure limits

ACGIH: TWA 2.5 mg/m3
NIOSH: IDLH 250 mg/m3

Dielectric constant

9.4000000000000004

Dielectric constant

9.4000000000000004

Dielectric constant

39.0（20℃）

Stability:

Stable. Highly flammable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents.

InChIKey

GETTZEONDQJALK-UHFFFAOYSA-N

LogP

3.01 at 20℃

CAS DataBase Reference

98-08-8(CAS DataBase Reference)

NIST Chemistry Reference

Benzene, (trifluoromethyl)-(98-08-8)

EPA Substance Registry System

Benzotrifluoride (98-08-8)

Safety Information

Hazard Codes 

F,T,C,N,Xn

Risk Statements 

45-46-11-36/38-48/23/24/25-65-51/53-39/23/24/25-23/24/25-48/20/22-40-38-22

Safety Statements 

53-26-36/37-45-62-61-23-16

RIDADR 

UN 2338 3/PG 2

WGK Germany 

3

RTECS 

XT9450000

Autoignition Temperature

650 °C

Hazard Note 

Flammable/Corrosive

TSCA 

Yes

HazardClass 

3

PackingGroup 

II

HS Code 

29049090

Hazardous Substances Data

98-08-8(Hazardous Substances Data)

Toxicity

LD50 orally in Rabbit: 15000 mg/kg LD50 dermal Rat > 2000 mg/kg

MSDS

• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

Benzotrifluoride Usage And Synthesis

Chemical Properties

Benzotrifluoride is a colorless to light yellow liquid, low viscosity liquid. Its polarity is intermediate between those of dichloromethane and ethyl acetate, and it is miscible with common organic solvents and able to dissolve many organic compounds. Benzotrifluoride is used in a wide variety of reactions including radical reactions, oxidations and reductions, phase-transfer reactions, transition metal catalyzed processes andLewis acid reactions.

Uses

Benzotrifluoride is a useful alternative solvent for organic reactions currently conducted in dichloromethane and related solvents.

Uses

It is applied as an alternative solvent to dichloromethane, where it has a higher bp. It is used as an intermediate for dyes and pharmaceuticals, as a solvent and a dielectric fluid, a vulcanizing agent.

Uses

In dye chemistry; in the manufacture of substituted benzotrifluorides contg an ethylenic group, used in high polymer chemistry; in dielectric fluids, such as transformer oils.

Definition

ChEBI: (trifluoromethyl)benzene is a fluorohydrocarbon that is fluoroform in which the hydrogen is substituted by a phenyl group. It has a role as a solvent and an environmental contaminant. It is a fluorohydrocarbon and a member of (trifluoromethyl)benzenes. It derives from a fluoroform.

Synthesis Reference(s)

Synthesis, p. 932, 1980 DOI: 10.1055/s-1980-29276

General Description

A clear colorless liquid with an aromatic odor. Flash point of 54°F. Vapors are heavier than air. Insoluble in water and slightly denser than water. May be toxic by inhalation.

Air & Water Reactions

Highly flammable. Insoluble in water.

Reactivity Profile

Benzotrifluoride may react with oxidizing materials, strong bases and reducing agents.

Hazard

Highly toxic by inhalation. Flammable, dangerous fire risk.

Health Hazard

Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control may cause pollution.

Fire Hazard

HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.

Flammability and Explosibility

Not classified

Safety Profile

Poison by intraperitoneal route.Moderately toxic by subcutaneous route. Dangerous fire hazard. To fight fire, usewater, foam, CO2, spray mist, dry chemical. When heatedto decomposition it emits toxic fumes of F??. Incompatiblewith oxidizing materials

Purification Methods

Purify benzotrifluoride by repeated treatment with boiling aqueous Na2CO3 (until no test for chloride ion is obtained), dry it with K2CO3, then with P2O5, and fractionally distil it. [Beilstein 5 IV 802.]

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