4-Chloro-3-(trifluoromethyl)phenyl isocyanate, 97%

Description

CAS: 327-78-6 | C8H3ClF3NO | 221.563 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: 327-78-6
• Molecular Formula: C8H3ClF3NO
• Molecular Weight (g/mol): 221.563
• MDL Number: MFCD00013874
• InChI Key: NBJZEUQTGLSUOB-UHFFFAOYSA-N
• Synonym: 4-chloro-3-trifluoromethyl phenyl isocyanate, 1-chloro-4-isocyanato-2-trifluoromethyl benzene, 4-chloro-3-trifluoromethyl phenylisocyanate, benzene, 1-chloro-4-isocyanato-2-trifluoromethyl, 4-chloro-3-trifluoromethylphenyl isocyanate, 4-chloro-3-trifluoromethoxy phenyl isocyanate, 1-chloro-4-isocyanato-2-trifluoromethyl-benzene, 4-chloro-3-trifluoromethyl benzenisocyanate, 3-trifluoromethyl-4-chloro-phenyl isocyanate, pubchem5027
• PubChem CID: 2733265
• IUPAC Name: 1-chloro-4-isocyanato-2-(trifluoromethyl)benzene
• SMILES: C1=CC(=C(C=C1N=C=O)C(F)(F)F)Cl

• Melting Point: 34°C to 36°C
• Boiling Point: 86°C to 90°C (14 mmHg)
• Flash Point: 99°C (210°F)
• Odor: Pungent
• Quantity: 5 g
• UN Number: UN2811
• Beilstein: 522032
• Sensitivity: Moisture sensitive
• Formula Weight: 221.57
• Percent Purity: 97%
• Chemical Name or Material: 4-Chloro-3-(trifluoromethyl)phenyl isocyanate

Safety and Handling

Hazard Category	H302-H315-H317-H318-H330
Hazard Statement	GHS H Statement H331-H334-H302-H315-H319-H335 Toxic if inhaled. May cause allergy or asthma symptoms or breathing difficulties if inhaled. Harmful if swallowed. Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	P260-P264b-P270-P271-P272-P280-P284-P301+P312-P302+P352-P304+P340-P305+P351+P338-P310-P330-P333+P313-P362-P501c
DOTInformation	Hazard Class: 6.1; Packaging Group: I
EINECSNumber	000-000-0
TSCA	No
Recommended Storage	Keep cold

SDS

RUO – Research Use Only