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152277

Sigma-Aldrich

4-Chlorophenyl isocyanate

98%

Synonym(s):

4-Isocyanato chlorobenzene

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About This Item

Linear Formula:
ClC6H4NCO
CAS Number:
104-12-1
Molecular Weight:
153.57
Beilstein:
386235
EC Number:
203-176-9
MDL number:
MFCD00002024
UNSPSC Code:
12352100
PubChem Substance ID:
24849218
NACRES:
NA.22

Quality Level

200

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
isocyanate

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

152277-BULK:
152277-VAR:
152277-5G:
152277-10KG:
152277-100G:
152277-500G:

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Certificates of Analysis (COA)

Lot/Batch Number
WXBF4107V
WXBD7052V
WXBD3474V
WXBC9132V
WXBC8724V

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

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