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CAS Number: 51-39-8
3,4,5-trichlorobenzoic acid

Structure

3,4,5-trichlorobenzoic acid
Name: 3,4,5-trichlorobenzoic acid
Synonyms:
General Information
Product Number: 51398

CAS Registry Number 51-39-8
Name:
Benzoic acid, 3,​4,​5-​trichloro-
3,4,5-Trichlorobenzoic acid

 

Chemical Formula: C7H3Cl3O2
Exact Mass: 223.92
Molecular Weight: 225.46
m/z: 223.92 (100.0%), 225.92 (96.3%), 227.91 (30.6%), 224.92 (7.6%), 226.92 (7.4%), 229.91 (3.3%), 228.92 (2.4%)

 

InChI:InChI=1S/C7H3Cl3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)

InChI Key:ICUICNRYLHKQGS-UHFFFAOYSA-N

Canonical SMILES:C1=C(C=C(C(=C1Cl)Cl)Cl)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 210-210.5 °C   (3)CAS
Melting Point 210 °C Solv: water (7732-18-5); ethanol (64-17-5) (4)CAS
Melting Point 208-210 °C   (5)CAS

Specification

98%

References
  1. (3) van de Bunt, C.; Recueil des Travaux Chimiques des Pays-Bas et de la Belgique 1929, V48, P121-46 CAPLUS
  2. (4) Chiavarelli, Stefano; Gazzetta Chimica Italiana 1955, V85, P1405-10 CAPLUS
  3. (5) Schlosser, Manfred; European Journal of Organic Chemistry 2006, (19), P4398-4404 CAPLUS
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