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质量水平
方案
95%
沸点
270 °C (lit.)
mp
93-95 °C (lit.)
SMILES字符串
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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Danger
危险分类
Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - STOT RE 2 Oral
靶器官
Liver
储存分类代码
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
WGK
WGK 3
闪点(°F)
Not applicable
闪点(°C)
Not applicable
法规信息
危险化学品
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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