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T54003

Sigma-Aldrich

2,4,5-Trichloroaniline

95%

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About This Item

Linear Formula:
Cl3C6H2NH2
CAS Number:
636-30-6
Molecular Weight:
196.46
Beilstein:
879091
EC Number:
211-254-9
MDL number:
MFCD00007662
UNSPSC Code:
12352100
PubChem Substance ID:
24900278
NACRES:
NA.22

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

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Related Categories

Signal Word

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 Code

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

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Certificates of Analysis (COA)

Lot/Batch Number
1451780
1321980
399080/1
S33842
S32111

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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)

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