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CAS Number: 22921-68-2
2-bromo-5-methoxybenzoic acid

Structure

2-bromo-5-methoxybenzoic acid
Name: 2-bromo-5-methoxybenzoic acid
Synonyms:
General Information
Product Number: 22921682

CAS Registry Number 22921-68-2
Name:
Benzoic acid, 2-?bromo-?5-?methoxy-
m-Anisic acid, 6-bromo- (6CI,7CI,8CI)
2-Bromo-5-methoxybenzoic acid
2-Bromo-5-(methyloxy)benzoic acid
5-Methoxy-2-bromobenzoic acid

 

Chemical Formula: C8H7BrO3
Exact Mass: 229.96
Molecular Weight: 231.04
m/z: 229.96 (100.0%), 231.96 (98.2%), 230.96 (8.8%), 232.96 (8.6%)

 

InChI:InChI=1S/C8H7BrO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)

InChI Key:ODHJOROUCITYNF-UHFFFAOYSA-N

Canonical SMILES:COC1=CC(=C(C=C1)Br)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 162 °C   (9)CAS
Melting Point 162 °C   (10)CAS
Melting Point 161-162 °C   (11)CAS
Melting Point 160-161 °C Solv: methanol (67-56-1); water (7732-18-5) (8)IC
Melting Point 160-160.8 °C   (12)CAS
Melting Point 160 °C   (13)IC
Melting Point 159-160.5 °C   (14)IC

Specification

98%

References
  1. (4) Nguyen, Thi-Huu; Organic Letters 2005, V7(12), P2445-2448 CAPLUS
  2. (5) Nguyen, Thi-Huu; Journal of Organic Chemistry 2007, V72(9), P3419-3429 CAPLUS
  3. (8) Hellwinkel, Dieter; Chemische Berichte 1987, V120(7), P1151-73 CAPLUS
  4. (9) Shah, Madhavlal S.; Journal of the University of Bombay, Science: Physical Sciences, Mathematics, Biological Sciences and Medicine 1934, V3, P153-4 CAPLUS
  5. (10) Horeau, A.; Bulletin de la Societe Chimique de France 1948, P53-9 CAPLUS
  6. (11) Pschorr, R.; Annalen der Chemie, Justus Liebigs 1912, V391, P23-39 CAPLUS
  7. (12) Barnes, Roderick A.; Journal of the American Chemical Society 1949, V71, P3523-8 CAPLUS
  8. (13) Merour, J. Y.; Synthesis 1982, (12), P1053-6 CAPLUS
  9. (14) Sindelar, K.; Collection of Czechoslovak Chemical Communications 1975, V40(6), P1940-59 CAPLUS
  10. (15) Bunton, C. A.; Tetrahedron 1963, V19, P1001-10 CAPLUS
  11. (16) Barnes, Roderick A.; Journal of the American Chemical Society 1952, V74, P32-4 CAPLUS
  12. (17) Tomita, Masao; Yakugaku Zasshi 1956, V76, P1122-5 CAPLUS
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