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445479

2-Chloro-6-methylphenyl isocyanate

Name: 2-Chloro-6-methylphenyl isocyanate
Brand: ALDRICH

97%

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About This Item

Linear Formula:

ClC₆H₃(CH₃)NCO

CAS Number:

40398-01-4

Molecular Weight:

167.59

UNSPSC Code:

12352100

PubChem Substance ID:

24868184

MDL number:

MFCD00037030

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Properties

assay

97%

refractive index

n20/D 1.555 (lit.)

bp

80 °C/2 mmHg (lit.)

density

1.231 g/mL at 25 °C (lit.)

SMILES string

Cc1cccc(Cl)c1N=C=O

InChI

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

InChI key

FBTQQNYGMICJQZ-UHFFFAOYSA-N

Description

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

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

wgk

WGK 3

ppe

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

Regulatory Information

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Discovery of N-(2-chloro-6-methyl- phenyl)-2-(6-(4-(2-hydroxyethyl)- piperazin-1-yl)-2-methylpyrimidin-4- ylamino)thiazole-5-carboxamide (BMS-354825), a dual Src/Abl kinase inhibitor with potent antitumor activity in preclinical assays.

Louis J Lombardo et al.

Journal of medicinal chemistry, 47(27), 6658-6661 (2004-12-24)

A series of substituted 2-(aminopyridyl)- and 2-(aminopyrimidinyl)thiazole-5-carboxamides was identified as potent Src/Abl kinase inhibitors with excellent antiproliferative activity against hematological and solid tumor cell lines. Compound 13 was orally active in a K562 xenograft model of chronic myelogenous leukemia (CML)

A new and efficient preparation of 2-aminothiazole-5-carbamides: applications to the synthesis of the anti-cancer drug dasatinib.

Chen B-C, et al.

ARKIVOC (Gainesville, FL, United States), 6, 32-38 (2010)

Global Trade Item Number

SKU	GTIN
227016-5MG	04055977200553