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CAS Number: 13958-91-3
3,5-dibromoisonicotinic acid

Structure

3,5-dibromoisonicotinic acid
Name: 3,5-dibromoisonicotinic acid
Synonyms:
General Information
Product Number: 13958913

CAS Registry Number 13958-91-3
Name:
4-​Pyridinecarboxylic acid, 3,​5-​dibromo-
Isonicotinic acid, 3,5-dibromo- (6CI,8CI)
3,5-Dibromoisonicotinic acid

 

Chemical Formula: C6H3Br2NO2
Exact Mass: 278.85
Molecular Weight: 280.90
m/z: 280.85 (100.0%), 278.85 (51.4%), 282.85 (48.7%), 281.85 (6.9%), 279.86 (3.4%), 283.85 (3.4%)

 

InChI:InChI=1S/C6H3Br2NO2/c7-3-1-9-2-4(8)5(3)6(10)11/h1-2H,(H,10,11)

InChI Key:LRKLXFGPVUZEDK-UHFFFAOYSA-N

Canonical SMILES:C1=C(C(=C(C=N1)Br)C(=O)O)Br

 

Thermal Properties Value Condition Note
Melting Point 62-64 °C   (1)CAS
Melting Point See full text   (2)CAS

Specification

98%

References
  1. (1) Otroshchenko, O. S.; Zhurnal Obshchei Khimii 1961, V31, P678-81 CAPLUS
  2. (2) Palat, Karel; Collection of Czechoslovak Chemical Communications 1967, V32(3), P1191-6 CAPLUS
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