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CAS Number: 42237-85-4
3-amino-5-bromobenzoic acid

Structure

3-amino-5-bromobenzoic acid
Name: 3-amino-5-bromobenzoic acid
Synonyms:
General Information
Product Number: 42237854
CAS Registry Number: 42237-85-4
Name:
        Benzoic acid, 3-​amino-​5-​bromo-
        3-​Amino-​5-​bromobenzoic acid 
 
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%)
Elemental Analysis: C, 38.92; H, 2.80; Br, 36.99; N, 6.48; O, 14.81
 
InChI: InChI=1S/C7H6BrNO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,9H2,(H,10,11)
InChIKey: RQSXRGSPGHZKFT-UHFFFAOYSA-N
Canonical SMILES : C1=C(C=C(C=C1N)Br)C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 222 °C Solv: ethanol (64-17-5) (1)CAS
Melting Point 220-222 °C   (2)CAS
Melting Point 215 °C   (3)CAS
 

Specification

98%

References
  1. (1) Mueller, Petra U.; Organic & Biomolecular Chemistry 2005, V3(20), P3757-3766 CAPLUS
  2. (2) McAlister, Fred B.; Journal of the Chemical Society 1928, P1913-6 CAPLUS
  3. (3) Inubushi, Yasuo; Yakugaku Zasshi 1952, V72, P1459-61 CAPLUS
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