1,3-Bis(trifluoromethyl)-benzene

Synonym(s):α,α,α,α′,α′,α′-Hexafluoro-m-xylene

CAS NO.：402-31-3
Empirical Formula: C8H4F6
Molecular Weight: 214.11
MDL number: MFCD00000392
EINECS: 206-939-4
SAFETY DATA SHEET (SDS)
Update Date: 2025-09-29 22:33:22

1,3-Bis(trifluoromethyl)-benzene Structural

What is 1,3-Bis(trifluoromethyl)-benzene?

Chemical properties

CLEAR COLOURLESS LIQUID

The Uses of 1,3-Bis(trifluoromethyl)-benzene

1,3-Bis(trifluoromethyl)benzene undergoes regioselective metalation and subsequent carboxylation at position 2 to give 2,6-bis(trifluoromethyl)benzoic acid. a convenient, selective synthesis of bis[2,4-bis(trifluoromethyl)phenyl]phosphane derivatives with 1,3-bis(trifluoromethyl)benzene as starting material.

General Description

Lithiation reaction of 1,3-bis(trifluoromethyl)benzene has been investigated. 1,3-Bis(trifluoromethyl)benzene undergoes regioselective metalation and subsequent carboxylation at position 2 to give 2,6-bis(trifluoromethyl)benzoic acid.

Properties of 1,3-Bis(trifluoromethyl)-benzene

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
CAS DataBase Reference	402-31-3(CAS DataBase Reference)
NIST Chemistry Reference	Benzene, 1,3-bis(trifluoromethyl)-(402-31-3)
EPA Substance Registry System	Benzene, 1,3-bis(trifluoromethyl)- (402-31-3)

Safety information for 1,3-Bis(trifluoromethyl)-benzene

Signal word	Warning
Pictogram(s)	Flame Flammables GHS02 Exclamation Mark Irritant GHS07 Environment GHS09
GHS Hazard Statements	H226:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes	P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P273:Avoid release to the environment. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.