98-17-9

Name 3-Trifluoromethylphenol
CAS 98-17-9
EINECS(EC#) 202-645-5
Molecular Formula C7H5F3O
MDL Number MFCD00002299
Molecular Weight 162.11
MOL File 98-17-9.mol
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Chemical Properties

Appearance Clear colourless to light yellow liquid
Melting point  −2-−1.8 °C(lit.)
Boiling point  178-179 °C(lit.)
density  1.333 g/mL at 25 °C(lit.)
vapor pressure  0.56 mm Hg ( 40 °C)
refractive index  n20/D 1.458(lit.)
Fp  165 °F
storage temp.  Inert atmosphere,Room Temperature
form  Liquid
pka 8.68(at 25℃)
color  Clear yellow
Water Solubility  insoluble
Detection Methods GC,NMR
BRN  2045663
InChI 1S/C7H5F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H
InChIKey UGEJOEBBMPOJMT-UHFFFAOYSA-N
SMILES Oc1cccc(c1)C(F)(F)F
LogP 2.95 at 25℃
CAS DataBase Reference 98-17-9(CAS DataBase Reference)
NIST Chemistry Reference Phenol, 3-(trifluoromethyl)-(98-17-9)
EPA Substance Registry System 98-17-9(EPA Substance)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi,T
Risk Statements 
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
R34:Causes burns.
R24/25:Toxic in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
WGK Germany  3
RTECS  GP3510000
Hazard Note  Irritant
TSCA  T
REACH Registrations Active
HazardClass  8
HazardClass  TOXIC
HS Code  29081900
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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