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CAS Number: 20776-51-6
2-amino-3-bromobenzoic acid

Structure

2-amino-3-bromobenzoic acid
Name: 2-amino-3-bromobenzoic acid
Synonyms:
General Information
Product Number: 20776516

CAS Registry Number 20776-51-6
Name:
Benzoic acid, 2-​amino-​3-​bromo-
Anthranilic acid, 3-bromo- (8CI)
2-Amino-3-bromobenzoic acid
3-Bromo-2-aminobenzoic acid
3-Bromoanthranilic acid
NSC 112517

 

Chemical Formula: C7H6BrNO2
Exact Mass: 214.96
Molecular Weight: 216.03
m/z: 214.96 (100.0%), 216.96 (98.0%), 215.96 (8.1%), 217.96 (7.5%)

 

InChI:InChI=1S/C7H6BrNO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11)

InChI Key:SRIZNTFPBWRGPB-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C(C(=C1)Br)N)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 176 °C   (3)IC
Melting Point 172-174 °C Solv: ethyl acetate (141-78-6) (1)CAS
Melting Point 171-174 °C   (4)CAS

Specification

98%

References
  1. (1) Wu, Fe-lin Lin; Chinese Pharmaceutical Journal (Taipei, Taiwan) 2004, V56(2), P97-109 CAPLUS
  2. (3) Malhotra, S.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 1989, V28B(1), P100-4 CAPLUS
  3. (4) Inagaki, Sigenobu; Yakugaku Zasshi 1938, V58, P961-75 CAPLUS
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