1,3-Bis(trifluoromethyl)-benzene Structure

1,3-Bis(trifluoromethyl)-benzene

Chemical Properties

Melting point -35°C
Boiling point 116-116.3 °C(lit.)
Density  1.378 g/mL at 25 °C(lit.)
refractive index  n20/D 1.379(lit.)
Flash point 26 °C
storage temp.  Sealed in dry,2-8°C
form  clear liquid
color  Colorless to Light yellow to Light orange
Specific Gravity 1.378
Water Solubility  Insoluble in water. Soluble in alcohol, ether, benzene.
BRN  2052589
Dielectric constant 5.9800000000000004
InChI 1S/C8H4F6/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h1-4H
InChIKey SJBBXFLOLUTGCW-UHFFFAOYSA-N
SMILES FC(F)(F)c1cccc(c1)C(F)(F)F
LogP 3.83
CAS DataBase Reference 402-31-3(CAS DataBase Reference)
FDA UNII F7TWF66P6X
NIST Chemistry Reference Benzene, 1,3-bis(trifluoromethyl)-(402-31-3)
EPA Substance Registry System Benzene, 1,3-bis(trifluoromethyl)- (402-31-3)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Flame (GHS02)Exclamation Mark (GHS07)Environment (GHS09)
Signal wordWarning
Hazard statements H226-H315-H319-H335-H411
Precautionary statements P210-P233-P240-P273-P303+P361+P353-P305+P351+P338
Hazard Codes  Xi,F
Risk Statements  10-36/37/38
Safety Statements  26-24/25
RIDADR  UN 1993 3/PG 3
WGK Germany  3
Hazard Note  Flammable
TSCA  TSCA listed
HazardClass  3
PackingGroup  III
HS Code  29039990
Storage Class 3 - Flammable liquids
Hazard Classifications Aquatic Chronic 2
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
NFPA 704:
2
2 0

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