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Key Documents

152277

Sigma-Aldrich

4-Chlorophenyl isocyanate

98%

Synonym(s):

4-Isocyanato chlorobenzene

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About This Item

Linear Formula:
ClC6H4NCO
CAS Number:
Molecular Weight:
153.57
Beilstein:
386235
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

98%

form

solid

refractive index

n20/D 1.5618 (lit.)

bp

203-204 °C (lit.)

mp

26-29 °C (lit.)

density

1.2 g/mL at 25 °C (lit.)

functional group

chloro

storage temp.

2-8°C

SMILES string

Clc1ccc(cc1)N=C=O

InChI

1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H

InChI key

ADAKRBAJFHTIEW-UHFFFAOYSA-N

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Application

4-Chlorophenyl isocyanate was used in the preparation of isothiocyanates.

Signal Word

Danger

Hazard Classifications

Acute Tox. 2 Inhalation - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Resp. Sens. 1 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

Flash Point(F)

194.0 °F - closed cup

Flash Point(C)

90 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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A Convenient synthesis of isothiocyanates from primary nitroalkanes.
Synthetic Communications, 24(8), 1101-1105 (1994)

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