251186

1,3-Bis(trifluoromethyl)benzene

99%

• Synonym(s): α,α,α,α′,α′,α′-Hexafluoro-m-xylene
• Linear Formula: C₆H₄(CF₃)₂
• CAS Number: 402-31-3
• Molecular Weight: 214.11
• Beilstein: 2052589
• EC Number: 206-939-4
• MDL number: MFCD00000392
• PubChem Substance ID: 24855115

Properties

• Quality Level: 100
• Assay: 99%
• form: liquid
• refractive index: n20/D 1.379 (lit.)
• bp: 116-116.3 °C (lit.)
• density: 1.378 g/mL at 25 °C (lit.)
• SMILES string: FC(F)(F)c1cccc(c1)C(F)(F)F
• InChI: 1S/C8H4F6/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h1-4H
• InChI key: SJBBXFLOLUTGCW-UHFFFAOYSA-N

Description

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.

Safety Information

• Pictograms: GHS02,GHS07,GHS09
• Signal Word: Warning
• Hazard Statements: H226 - H315 - H319 - H335 - H411
• Precautionary Statements: P210 - P233 - P240 - P273 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Aquatic Chronic 2 - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 78.8 °F - closed cup
• Flash Point(C): 26 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves