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Key Documents

T54003

Sigma-Aldrich

2,4,5-Trichloroaniline

95%

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About This Item

Linear Formula:
Cl3C6H2NH2
CAS Number:
Molecular Weight:
196.46
Beilstein/REAXYS Number:
879091
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

assay

95%

bp

270 °C (lit.)

mp

93-95 °C (lit.)

SMILES string

Nc1cc(Cl)c(Cl)cc1Cl

InChI

1S/C6H4Cl3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2

InChI key

GUMCAKKKNKYFEB-UHFFFAOYSA-N

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Related Categories

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - STOT RE 2 Oral

target_organs

Liver

Storage Class

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

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable


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Sławomir Kasperowicz et al.
IUBMB life, 72(6), 1211-1219 (2020-03-13)
A series of chlorine-substituted benzotriazole derivatives, representing all possible substitution patterns of halogen atoms attached to the benzotriazole benzene ring, were synthetized as potential inhibitors of human protein kinase CK2. Basic ADME parameters for the free solutes (hydrophobicity, electronic properties)

Protocols

GC Analysis of Anilines on Equity®-5

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