4-Chlorophenyl isocyanate, 98%

Description

CAS: 104-12-1 | C7H4ClNO | 153.565 g/mol

4-Chlorophenyl isocyanate is used in the preparation of isothiocyanates. Aryl isocyanates undergo [2+2] cycloaddition reactions with dihydrofuran to give bicyclic β-lactams in high yield.

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
4-Chlorophenyl isocyanate is used in the preparation of isothiocyanates. Aryl isocyanates undergo [2+2] cycloaddition reactions with dihydrofuran to give bicyclic ß-lactams in high yield.

Solubility
Hydrolyzes in water.

Notes
Keep container tightly closed. Store away from oxidizing agents.

Specifications

Chemical Identifiers

• CAS: 104-12-1
• Molecular Formula: C7H4ClNO
• Molecular Weight (g/mol): 153.565
• MDL Number: MFCD00002024
• InChI Key: ADAKRBAJFHTIEW-UHFFFAOYSA-N
• Synonym: 4-chlorophenyl isocyanate, p-chlorophenyl isocyanate, benzene, 1-chloro-4-isocyanato, pcpi, 4-chloroisocyanatobenzene, para-chlorophenyl isocyanate, p-chlorfenylisokyanat, 4-chlorophenylisocyanate, isocyanic acid, p-chlorophenyl ester, 1-chloro-4-isocyanato-benzene
• PubChem CID: 7693
• IUPAC Name: 1-chloro-4-isocyanatobenzene
• SMILES: C1=CC(=CC=C1N=C=O)Cl

• Melting Point: 29°C to 31°C
• Density: 1.2
• Boiling Point: 203°C to 204°C
• Quantity: 100 g
• Odor: Pungent
• Refractive Index: 1.5618
• UN Number: UN2811
• Beilstein: 386235
• Solubility Information: Hydrolyzes in water.
• Formula Weight: 153.57
• Percent Purity: 98%
• Chemical Name or Material: 4-Chlorophenyl isocyanate

Safety and Handling

Hazard Category	H301-H315-H318-H330-H334-H335
Hazard Statement	GHS H Statement H330-H334-H318-H315-H335 Fatal if inhaled. May cause allergy or asthma symptoms or breathing difficulties if inhaled. Causes serious eye damage. Causes skin irritation. May cause respiratory irritation.
Precautionary Statement	P260-P264b-P270-P271-P280-P284-P285-P301+P310-P302+P352-P304+P340-P305+P351+P338-P310-P312-P330-P332+P313-P362-P501c
DOTInformation	Hazard Class: 6.1; Packaging Group: II
EINECSNumber	203-176-9
RTECSNumber	NQ8575000
TSCA	Yes
Recommended Storage	Keep cold; Store under Nitrogen

SDS

RUO – Research Use Only