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CAS Number: 88912-27-0
3-chloroisonicotinic acid

Structure

3-chloroisonicotinic acid
Name: 3-chloroisonicotinic acid
Synonyms:
General Information
Product Number: 88912270

CAS Registry Number 88912-27-0
Name:
4-​Pyridinecarboxylic acid, 3-​chloro-
Isonicotinic acid, 3-chloro- (6CI,7CI)
3-Chloro-4-pyridinecarboxylic acid
3-Chloroisonicotinic acid

 

Chemical Formula: C6H4ClNO2
Exact Mass: 156.99
Molecular Weight: 157.55
m/z: 156.99 (100.0%), 158.99 (32.0%), 158.00 (6.6%), 159.99 (2.2%)

 

InChI:InChI=1S/C6H4ClNO2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,(H,9,10)

InChI Key:MYAZXWFEMDJTFE-UHFFFAOYSA-N

Canonical SMILES:C1=CN=CC(=C1C(=O)O)Cl

 

Thermal Properties Value Condition Note
Melting Point 235 °C   (2)CAS
Melting Point 232 °C   (3)CAS
Melting Point 220 °C   (1)WSS
Melting Point See full text   (4)CAS

Specification

98%

References
  1. (1) Lazaar, Jalal; Tetrahedron 2002, V58(33), P6723-6728 CAPLUS
  2. (2) Meyer, Hans; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1928, V61B, P2202-15 CAPLUS
  3. (3) Talik, Tadeusz; Roczniki Chemii 1962, V36, P1049-56 CAPLUS
  4. (4) Fox, H. Herbert; Journal of Organic Chemistry 1958, V23, P64-6 CAPLUS
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