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CAS Number: 59337-89-2
3-chlorothiophene-2-carboxylic acid

Structure

3-chlorothiophene-2-carboxylic acid
Name: 3-chlorothiophene-2-carboxylic acid
Synonyms:
General Information
Product Number: 59337892
CAS Registry Number: 59337-89-2
Name:
2-​Thiophenecarboxylic acid, 3-​chloro-
3-​Chloro-​2-​thiophenecarboxylic acid 
 
Chemical Formula: C5H3ClO2S
Exact Mass: 161.95
Molecular Weight: 162.59
m/z: 161.95 (100.0%), 163.95 (36.5%), 162.96 (5.5%), 164.95 (2.2%), 165.95 (1.5%)
Elemental Analysis: C, 36.93; H, 1.86; Cl, 21.80; O, 19.68; S, 19.72
 
InChI: InChI=1S/C5H3ClO2S/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H,7,8)
InChIKey: BXEAAHIHFFIMIE-UHFFFAOYSA-N
Canonical SMILES : C1=CSC(=C1Cl)C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 187-188 °C Solv: ethanol (64-17-5); water (7732-18-5) (2)IC
Melting Point 185-186 °C   (1)CAS
Melting Point 183-185 °C   (3)CAS
Melting Point 175-176 °C   (4)CAS

Specification

98%

References
  1. (1) Eller, Gernot A.; Heterocycles 2007, V71(1), P87-104 CAPLUS
  2. (2) Corral, Carlos; Heterocycles 1985, V23(6), P1431-5 CAPLUS
  3. (3) Profit, E.; Journal fuer Praktische Chemie (Leipzig) 1964, V24(1-2), P38-73 CAPLUS
  4. (4) Steinkopf, Wilhelm; Justus Liebigs Annalen der Chemie 1937, V532, P250-82 CAPLUS
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