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478261

5-Chloro-2-methylphenyl isocyanate

Name: 5-Chloro-2-methylphenyl isocyanate
Brand: ALDRICH

98%

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About This Item

Linear Formula:

ClC₆H₃(CH₃)NCO

CAS Number:

40411-27-6

Molecular Weight:

167.59

NACRES:

NA.22

PubChem Substance ID:

24871484

UNSPSC Code:

12352100

MDL number:

MFCD00019913

Assay:

98%

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Properties

assay

98%

refractive index

n20/D 1.556 (lit.)

bp

115 °C/5 mmHg (lit.)

density

1.226 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

Cc1ccc(Cl)cc1N=C=O

InChI

1S/C8H6ClNO/c1-6-2-3-7(9)4-8(6)10-5-11/h2-4H,1H3

InChI key

XEMUTFNBAICJEO-UHFFFAOYSA-N

Description

General description

5-Chloro-2-methylphenyl isocyanate, also known as 4-chloro-2-isocyanato-1-methylbenzene, is an organic building block containing an isocyanate group. Its Raman spectra, infrared spectra, ab initio and density functional theory (DFT) calculations have been reported.

Application

5-Chloro-2-methylphenyl isocyanate may be used in the synthesis of:

N-(5-chloro-2-methyphenyl)-N′-(1-methylethyl)-thiourea
N-(5-chloro-2-methyphenyl)-N′-(1-methylethyl)-urea
5-chloro-2-methylphenylcarbamoylated cyclodextrin (CD) chiral stationary phase (CSP)

pictograms

GHS08,GHS07

signalword

Danger

hcodes

H302 + H312 + H332,H315,H317,H319,H334,H335

pcodes

P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

target_organs

Respiratory system

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

No data available

flash_point_c

No data available

ppe

dust mask type N95 (US), Eyeshields, Gloves

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