4-Chlorophenyl isocyanate, 98%

Name: 4-Chlorophenyl isocyanate, 98%
SKU: A14966.22

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

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Catalog number A14966.22

also known as A14966-22

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100 g

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Chemical Identifiers

CAS104-12-1

IUPAC Name1-chloro-4-isocyanatobenzene

Molecular FormulaC7H4ClNO

InChI KeyADAKRBAJFHTIEW-UHFFFAOYSA-N

SMILESClC1=CC=C(C=C1)N=C=O

Specifications

Specification Sheet

CommentMay develop some turbidity or precipitate

Melting Point29-33?C

Assay (GC)≥97.5%

Appearance (Color)White to cream to yellow

FormCrystalline or fused solid

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.

RUO – Research Use Only

General References:

Robert L. Metcalf.; Po-Yung. Lu.; Stephen. Bowlus. Degradation and environmental fate of 1-(2,6-difluorobenzoyl)-3-(4-chlorophenyl)urea. J. Agric. Food Chem. 1975, 23, (3), 359-364.
Aryl isocyanates undergo [2+2] cycloaddition reactions with dihydrofuran to give bicyclic ß-lactams in high yield: Nippon Kagaku Kaishi, 459 (1995):
For general chemistry of isocyanates, see Appendix 3.