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CAS Number: 6567-35-7
3-bromoisoxazole-5-carboxylic acid

Structure

 3-bromoisoxazole-5-carboxylic acid
Name: 3-bromoisoxazole-5-carboxylic acid
Synonyms:
General Information
Product Number: 6567357

CAS Registry Number 6567-35-7
Name:
5-?Isoxazolecarboxylic acid, 3-?bromo-
3-Bromo-5-isoxazolecarboxylic acid
3-Bromo-5-carboxyisoxazole
3-Bromoisoxazole-5-carboxylic acid
NSC 303797

 

Chemical Formula: C4H2BrNO3
Exact Mass: 190.92
Molecular Weight: 191.97
m/z: 190.92 (100.0%), 192.92 (97.3%), 193.92 (4.7%), 191.93 (4.5%)

 

InChI:InChI=1S/C4H2BrNO3/c5-3-1-2(4(7)8)9-6-3/h1H,(H,7,8)

InChI Key:YNIMFLBFJCGBQK-UHFFFAOYSA-N

Canonical SMILES:C1=C(ON=C1Br)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 170-175 °C   (1)CAS
Melting Point 170-175 °C   (2)CAS
Melting Point 170-175 °C   (3)CAS
Melting Point See full text   (4)CAS

Specification

98%
References
  1. (1) A.-G., J. R. Geigy; BE 665249 1965 CAPLUS
  2. (2) NL 6607413 1966 CAPLUS
  3. (3) Gagneux, Andre; US 3459862 A 1969 CAPLUS
  4. (4) NL 6607677 1966 CAPLUS
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