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Key Documents

C51202

Sigma-Aldrich

5-Chloro-2-methylaniline

97%

Synonym(s):

2-Amino-4-chlorotoluene, 5-Chloro-o-toluidine

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About This Item

Linear Formula:
ClC6H3(CH3)NH2
CAS Number:
Molecular Weight:
141.60
Beilstein/REAXYS Number:
878504
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:

assay

97%

refractive index

n20/D 1.584 (lit.)

bp

237 °C (lit.)

mp

20-22 °C (lit.)

density

1.177 g/mL at 20 °C (lit.)

SMILES string

Cc1ccc(Cl)cc1N

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pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - 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_germany

WGK 3

flash_point_f

320.0 °F - closed cup

flash_point_c

160 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves


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Ilaria Massarelli et al.
European journal of medicinal chemistry, 44(9), 3658-3664 (2009-03-11)
A dataset comprising 55 chemicals with hepatocarcinogenic potency indices was collected from the Carcinogenic Potency Database with the aim of developing QSAR models enabling prediction of the above unwanted property for New Chemical Entities. The dataset was rationally split into

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