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Merck
CN

445479

2-Chloro-6-methylphenyl isocyanate

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

Key Documents

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InChI

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

SMILES string

Cc1cccc(Cl)c1N=C=O

InChI key

FBTQQNYGMICJQZ-UHFFFAOYSA-N

assay

97%

refractive index

n20/D 1.555 (lit.)

bp

80 °C/2 mmHg (lit.)

density

1.231 g/mL at 25 °C (lit.)

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Danger

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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Certificates of Analysis (COA)

Lot/Batch Number
SHBB2603V
14719JO
09121EU
01020HN

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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)

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