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CAS Number: 14348-38-0
4-bromo-3-hydroxybenzoic acid

Structure

4-bromo-3-hydroxybenzoic acid
Name: 4-bromo-3-hydroxybenzoic acid
Synonyms:
General Information
Product Number: 14348380

CAS Registry Number 14348-38-0
Name:
Benzoic acid, 4-​bromo-​3-​hydroxy-
4-Bromo-3-hydroxybenzoic acid

 

Chemical Formula: C7H5BrO3
Exact Mass: 215.94
Molecular Weight: 217.02
m/z: 215.94 (100.0%), 217.94 (97.3%), 216.95 (7.7%), 218.94 (7.5%)

 

InChI:InChI=1S/C7H5BrO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,(H,10,11)

InChI Key:PAJSESFUWIYFNF-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C(C=C1C(=O)O)O)Br

 

Thermal Properties Value Condition Note
Melting Point 226.5-227.5 °C   (3)CAS
Melting Point 225-226 °C Solv: ethyl ether (60-29-7); hexane (110-54-3) (2)CAS
Melting Point 225 °C   (4)IC
Melting Point 221-222 °C   (5)CAS
Melting Point 221 °C   (6)CAS
Melting Point 220-222 °C Solv: water (7732-18-5) (7)CAS
Melting Point See full text   (8)CAS

Specification

98%

References
  1. (2) Woo, L. W. Lawrence; Journal of Medicinal Chemistry 2007, V50(15), P3540-3560 CAPLUS
  2. (3) Beyer, P. H.; Recueil des Travaux Chimiques des Pays-Bas et de la Belgique 1921, V40, P621-31 CAPLUS
  3. (4) Canceill, Josette; Nouveau Journal de Chimie 1986, V10(1), P17-23 CAPLUS
  4. (5) Faltis, Franz; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1941, V74B, P79-97 CAPLUS
  5. (6) Kondo, H.; Yakugaku Zasshi 1930, V50, P224-30 CAPLUS
  6. (7) Tomita, Masao; Yakugaku Zasshi 1956, V76, P1122-5 CAPLUS
  7. (8) Kieffer, Robert; Soft Matter 2009, V5(6), P1214-1227 CAPLUS
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