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98-08-8

Name Benzotrifluoride
CAS 98-08-8
EINECS(EC#) 202-635-0
Molecular Formula C7H5F3
MDL Number MFCD00000372
Molecular Weight 146.11
MOL File 98-08-8.mol

Chemical Properties

Appearance Clear colourless to light yellow liquid
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.)
Fp  54 °F
storage temp.  2-8°C
solubility  0.45g/l Hydrolysis
form  Liquid
color  Clear colorless
Specific Gravity 1.199
Odor aromatic odor
Stability: Stable. Highly flammable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents.
explosive limit 1.4-9.3%(V)
Water Solubility  <0.1 g/100 mL at 21 ºC
Detection Methods GC,NMR
Merck  14,1110
BRN  1906908
Dielectric constant 39.0(20℃)
Exposure limits ACGIH: TWA 2.5 mg/m3
NIOSH: IDLH 250 mg/m3
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 98-08-8(EPA Substance)

Safety Data

Hazard Codes  F,T,C,N
Risk Statements 
R45:May cause cancer.
R11:Highly Flammable.
R36/38:Irritating to eyes and skin .
R48/23/24/25:Toxic: danger of serious damage to health by prolonged exposure through inhalation, in contact with skin and if swallowed .
R65:Harmful: May cause lung damage if swallowed.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R39/23/24/25:Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
Safety Statements 
S53:Avoid exposure-obtain special instruction before use .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S16:Keep away from sources of ignition-No smoking .
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

Hazard Information

Material Safety Data Sheet(MSDS)

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