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152277

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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24849218
EC Number:
203-176-9
Beilstein/REAXYS Number:
386235
MDL number:
MFCD00002024
Assay:
98%
Form:
solid
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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

Application

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

signalword

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

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

flash_point_f

194.0 °F - closed cup

flash_point_c

90 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

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Certificates of Analysis (COA)

Lot/Batch Number
WXBF6757V
WXBF5321V
WXBF4107V
WXBD7052V
WXBD3474V

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

Global Trade Item Number

SKUGTIN
152277-5G04061836825355
152277-100G04061836825348