1,3-Bis(trifluoromethyl)benzene , >98.0%(GC) , 402-31-3

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

PRODUCT Properties

• Melting point: -35°C
• Boiling point: 114–116 °C (237–241 °F; 387–389 K)
• Density: 1.40
• refractive index: 1.38
• Flash point: 26 °C
• storage temp.: Sealed in dry,2-8°C
• form: liquid
• color: colorless
• 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)
• NIST Chemistry Reference: Benzene, 1,3-bis(trifluoromethyl)-(402-31-3)
• EPA Substance Registry System: Benzene, 1,3-bis(trifluoromethyl)- (402-31-3)

Description and Uses

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.

Safety

• Symbol(GHS): 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
• target organs: Respiratory system
• PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
• 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
• REACH Registrations: Inactive
• Limited Quantities: 5.0 L (1.3 gallons) (liquid)
• Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)