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T54003

2,4,5-Trichloroaniline

Name: 2,4,5-Trichloroaniline
Brand: ALDRICH

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About This Item

Linear Formula:

Cl₃C₆H₂NH₂

CAS Number:

636-30-6

Molecular Weight:

196.46

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24900278

EC Number:

211-254-9

Beilstein/REAXYS Number:

879091

MDL number:

MFCD00007662

Assay:

95%

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Properties

Quality Level

100

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

Description

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pictograms

GHS06,GHS08,GHS09

signalword

Danger

hcodes

H301 + H311 + H331,H373,H410

pcodes

P273 - P280 - P301 + P310 - P302 + P352 + P312 - P304 + P340 + P311 - P314

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

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

危险化学品

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A competition between hydrophobic and electrostatic interactions in protein-ligand systems. Binding of heterogeneously halogenated benzotriazoles by the catalytic subunit of human protein kinase CK2.

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)

Global Trade Item Number

SKU	GTIN
T54003-100G	04061837347573