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CAS Number: 95656-52-3
4-amino-3-chloro-5-(trifluoromethyl)benzoic acid

Structure

4-amino-3-chloro-5-(trifluoromethyl)benzoic acid
Name: 4-amino-3-chloro-5-(trifluoromethyl)benzoic acid
Synonyms:
General Information
Product Number: 95656523

CAS Registry Number 95656-52-3
Name:
Benzoic acid, 4-​amino-​3-​chloro-​5-​(trifluoromethyl)​-
4-Amino-3-chloro-5-(trifluoromethyl)benzoic acid

 

Chemical Formula: C8H5ClF3NO2
Exact Mass: 239.00
Molecular Weight: 239.58
m/z: 239.00 (100.0%), 240.99 (32.0%), 240.00 (8.8%), 242.00 (2.8%)

 

InChI:InChI=1S/C8H5ClF3NO2/c9-5-2-3(7(14)15)1-4(6(5)13)8(10,11)12/h1-2H,13H2,(H,14,15)

InChI Key:LZLSLGVFHCTZAH-UHFFFAOYSA-N

Canonical SMILES:C1=C(C=C(C(=C1C(F)(F)F)N)Cl)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 228-236 °C (decomp)   (1)IC

Specification

98%

References
  1. (1) Krueger, G.; Arzneimittel-Forschung 1984, V34(11A), P1612-24 CAPLUS
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