1,3-Bis(trifluoromethyl)benzene, 98+%, Thermo Scientific Chemicals

Description

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.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
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.

Solubility
Insoluble in water. Soluble in alcohol, ether, benzene.

Notes
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Store away from strong oxidizing agents.

Specifications

Chemical Identifiers

• CAS: 402-31-3
• Molecular Formula: C8H4F6
• Molecular Weight (g/mol): 214.11
• MDL Number: MFCD00000392
• InChI Key: SJBBXFLOLUTGCW-UHFFFAOYSA-N
• Synonym: 1,3-bis trifluoromethyl benzene, benzene, 1,3-bis trifluoromethyl, 1,3-di trifluoromethyl benzene, 1,3-bis trifluoromethyl-benzene, m-bis trifluoromethyl benzene, m-ditrifluoromethylbenzene, hexafluoro-m-xylene, alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-m-xylene, mtf-tfm, a,a,a,a',a',a'-hexafluoro-m-xylene
• PubChem CID: 223106
• IUPAC Name: 1,3-bis(trifluoromethyl)benzene
• SMILES: C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

• Melting Point: -35°C
• Density: 1.378
• Boiling Point: 115°C to 117°C
• Flash Point: 26°C (78°F)
• Odor: Aromatic
• Refractive Index: 1.379
• Quantity: 50 g
• UN Number: UN1993
• Beilstein: 2052589
• Solubility Information: Insoluble in water. Soluble in alcohol,ether,benzene.
• Formula Weight: 214.11
• Percent Purity: ≥98%
• Chemical Name or Material: 1,3-Bis (trifluoromethyl)benzene

Safety and Handling

Hazard Category	H226-H315-H319-H335
Hazard Statement	GHS H Statement H226-H315-H319-H335 Flammable liquid and vapor. Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	P210-P233-P235-P240-P241-P242-P243-P261-P264b-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P312-P332+P313-P363-P370+P378q-P501c
DOTInformation	Transport Hazard Class: 3; Packing Group: III; Proper Shipping Name: FLAMMABLE LIQUIDS, N.O.S.
EINECSNumber	206-939-4
TSCA	Yes
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only