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Benzotrifluoride

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Benzotrifluoride Basic information

Product Name:
Benzotrifluoride
Synonyms:
  • ααα-Trifluorotoluene, Calibration (Surrogate) Standard
  • α,α,α-Trifluorotoluene solution,Benzotrifluoride
  • alpha,alpha,alpha-Trifluorotoluene, 99+% 500ML
  • (Trifluoromethyl)benzene alpha,alpha,alpha-Trifluorotoluene
  • (Trifluormethyl)-benzol
  • (trifluoromethyl)-benzen
  • 1’,1’,1’-Trifluorotoluene
  • alpha,alpha,alpha-trifluoro-toluen
CAS:
98-08-8
MF:
C7H5F3
MW:
146.11
EINECS:
202-635-0
Product Categories:
  • Anhydrous Solvents
  • Solvent Bottles
  • Solvent by Application
  • Solvent Packaging Options
  • Solvents
  • Sure/Seal Bottles
  • Aromatic Hydrocarbons (substituted) & Derivatives
  • Fluorous Chemistry
  • Fluorous Solvents
  • Synthetic Organic Chemistry
  • bc0001
Mol File:
98-08-8.mol
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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)
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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

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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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