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245682

3-Chlorophenyl isocyanate

99%

Synonym(s):

3-Isocyanato chlorobenzene

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About This Item

Linear Formula:
ClC6H4NCO
CAS Number:
2909-38-8
Molecular Weight:
153.57
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24854750
EC Number:
220-822-5
Beilstein/REAXYS Number:
742445
MDL number:
MFCD00002016
Assay:
99%
Form:
liquid
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Quality Segment

assay

99%

form

liquid

refractive index

n20/D 1.559 (lit.)

bp

113-114 °C/43 mmHg (lit.)

mp

−4 °C (lit.)

density

1.26 g/mL at 25 °C (lit.)

functional group

chloro, isocyanate

SMILES string

Clc1cccc(c1)N=C=O

InChI

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

InChI key

HHIRBXHEYVDUAM-UHFFFAOYSA-N

Application

3-Chlorophenyl isocyanate (3-isocyanato chlorobenzene) was used in the preparation of cis-4-[N-(3-chlorophenyl)carbamoloxyl]-2-butenyl-trimethylammoniumiodide.

Signal Word

Danger

Hazard Classifications

Acute Tox. 1 Inhalation - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Skin Corr. 1C - Skin Sens. 1A

Storage Class

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

WGK

WGK 2

Flash Point (°F)

179.6 °F - closed cup

Flash Point (°C)

82 °C - closed cup

PPE (personal protective equipment)

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

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