4-(Trifluoromethyl)benzonitrile, 98%

Description

CAS: 455-18-5 | C8H4F3N | 171.122 g/mol

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.

Specifications

Chemical Identifiers

• CAS: 455-18-5
• Molecular Formula: C8H4F3N
• Molecular Weight (g/mol): 171.122
• MDL Number: MFCD00001826
• InChI Key: DRNJIKRLQJRKMM-UHFFFAOYSA-N
• Synonym: 4-trifluoromethyl benzonitrile, benzonitrile, 4-trifluoromethyl, alpha,alpha,alpha-trifluoro-p-tolunitrile, 4-cyanobenzotrifluoride, p-trifluoromethylbenzonitrile, p-trifluoromethyl benzonitrile, benzonitrile, p-trifluoromethyl, p-trifluoromethylbenonitrile, para-trifluoromethyl-benzonitrile, p-cyanobenzotrifluoride
• PubChem CID: 67995
• IUPAC Name: 4-(trifluoromethyl)benzonitrile
• SMILES: C1=CC(=CC=C1C#N)C(F)(F)F

• Melting Point: 36°C to 40°C
• Density: 1.278
• Boiling Point: 183°C to 185°C
• Flash Point: 71°C (159°F)
• Refractive Index: 1.4583
• Quantity: 10 g
• UN Number: UN3439
• Beilstein: 2046478
• Formula Weight: 171.12
• Percent Purity: 98%
• Chemical Name or Material: 4-(Trifluoromethyl)benzonitrile

Safety and Handling

Hazard Category	H302+H312+H332-H315-H319-H335
Hazard Statement	GHS H Statement H331-H302-H312-H315-H319 Toxic if inhaled. Harmful if swallowed. Harmful in contact with skin. Causes skin irritation. Causes serious eye irritation.
Precautionary Statement	P261-P264b-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P362-P501c
DOTInformation	Transport Hazard Class: 6.1; Packing Group: III; Proper Shipping Name: NITRILES, SOLID, TOXIC, N.O.S.
EINECSNumber	207-239-1
TSCA	Yes
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only