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245682

3-Chlorophenyl isocyanate

Name: 3-Chlorophenyl isocyanate
Brand: ALDRICH

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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Properties

Quality Level

100

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

Description

Application

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

pictograms

GHS06,GHS05,GHS09

signalword

Danger

hcodes

H314,H317,H330,H410

pcodes

P260 - P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338

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

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

Regulatory Information

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Stereochemical analogs of a muscarinic, ganglionic stimulant. cis- and trans-4-(N-(3-chlorophenyl)carbamoyloxy)-2-butenyltrimethylammonium iodides.

W L Nelson et al.

Journal of medicinal chemistry, 16(5), 506-510 (1973-05-01)

Global Trade Item Number

SKU	GTIN
245682-5G	04061825772950
245682-100G	04061836825980