146269
4-Chloro-3-methyl-6-nitrophenol
97%
Synonym(s):
4-Chloro-6-nitro-m-cresol
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About This Item
Linear Formula:
ClC6H2(NO2)(CH3)OH
CAS Number:
Molecular Weight:
187.58
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
assay
97%
mp
132-134 °C (lit.)
SMILES string
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
Related Categories
Application
4-Chloro-3-methyl-6-nitrophenol was used to evaluate toxicity in Tetrahymena pyriformis by quantitative structure-toxicity relationships-topological substructural molecular design method.
Storage Class
11 - Combustible Solids
wgk_germany
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
Certificates of Analysis (COA)
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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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