3-Trifluoromethylphenol Structure

3-Trifluoromethylphenol

Chemical Properties

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.)
Flash point 165 °F
storage temp.  Inert atmosphere,Room Temperature
form  Liquid
pka 8.68(at 25℃)
color  Clear yellow
Water Solubility  insoluble
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)
EWG's Food Scores 1
FDA UNII R2R9N38UDY
NIST Chemistry Reference Phenol, 3-(trifluoromethyl)-(98-17-9)
EPA Substance Registry System 3-(Trifluoromethyl)phenol (98-17-9)
UNSPSC Code 12352100
NACRES NA.22
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Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi,T
Risk Statements  37/38-41-34-24/25-36/37/38
Safety Statements  26-39-45-36/37/39
WGK Germany  3
RTECS  GP3510000
Hazard Note  Irritant
TSCA  TSCA listed
HazardClass  TOXIC
HazardClass  8
HS Code  29081990
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704:
2
3 0

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