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方案
97%
mp
132-134 °C (lit.)
官能团
chloro
nitro
SMILES字符串
Cc1cc(O)c(cc1Cl)[N+]([O-])=O
InChI
1S/C7H6ClNO3/c1-4-2-7(10)6(9(11)12)3-5(4)8/h2-3,10H,1H3
InChI key
JBMGJOKJUYGIJH-UHFFFAOYSA-N
应用
4-Chloro-3-methyl-6-nitrophenol was used to evaluate toxicity in Tetrahymena pyriformis by quantitative structure-toxicity relationships-topological substructural molecular design method[1].
储存分类代码
11 - Combustible Solids
WGK
WGK 3
闪点(°F)
Not applicable
闪点(°C)
Not applicable
个人防护装备
Eyeshields, Gloves, type N95 (US)
Maykel Pérez González et al.
Bioorganic & medicinal chemistry, 12(4), 735-744 (2004-02-05)
The TOPological Substructural MOlecular DEsign (TOPS-MODE) has been successfully used in order to explain the toxicity in the Tetrahymena pyriformis on a large data set. The obtained models for the training set had good statistical parameters (R(2)=0.72-0.81, p<0.05) an also
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