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Benzotrifluoride Structure

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 39.0(20℃)
Stability Stable. Highly flammable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents.
InChI 1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
InChIKey GETTZEONDQJALK-UHFFFAOYSA-N
SMILES FC(F)(F)c1ccccc1
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  TSCA listed
HazardClass  3
PackingGroup  II
HS Code  29049090
Storage Class 6.1D - Non-combustible acute toxic Cat.3
toxic hazardous materials or hazardous materials causing chronic effects
Hazard Classifications Acute Tox. 3 Inhalation
Acute Tox. 4 Oral
Carc. 2
Eye Irrit. 2
Repr. 2
Skin Irrit. 2
STOT RE 1 Oral
STOT SE 3
Hazardous Substances Data 98-08-8(Hazardous Substances Data)
Toxicity LD50 orally in Rabbit: 15000 mg/kg LD50 dermal Rat > 2000 mg/kg

MSDS

Usage And Synthesis

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