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CAS Number: 86826-93-9
2-(2-bromo-5-methoxyphenyl)acetic acid

Structure

2-(2-bromo-5-methoxyphenyl)acetic acid
Name: 2-(2-bromo-5-methoxyphenyl)acetic acid
Synonyms:
General Information
Product Number: 86826939

CAS Registry Number 86826-93-9
Name:
Benzeneacetic acid, 2-​bromo-​5-​methoxy-
Acetic acid, (2-bromo-5-methoxyphenyl)- (6CI)
(5-Methoxy-2-bromophenyl)acetic acid
2-(2-Bromo-5-methoxyphenyl)acetic acid

 

Chemical Formula: C9H9BrO3
Exact Mass: 243.97
Molecular Weight: 245.07
m/z: 243.97 (100.0%), 245.97 (97.3%), 244.98 (10.0%), 246.97 (9.5%), 245.98 (1.1%), 247.98 (1.0%)

 

InChI:InChI=1S/C9H9BrO3/c1-13-7-2-3-8(10)6(4-7)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)

InChI Key:XEXHAKGPISSIIX-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 115 °C   (4)CAS
Melting Point 115 °C   (5)IC
Melting Point 114-115 °C   (6)CAS
Melting Point 114-115 °C   (7)CAS
Melting Point 114 °C   (1)CAS
Melting Point 108-109 °C Solv: ethyl acetate (141-78-6); hexane (110-54-3) (2)CAS
Melting Point See full text   (3)CAS

Specification

98%

References
  1. (1) Adams, Harry; Organic Letters 2008, V10(7), P1457-1460 CAPLUS
  2. (2) Quin, Caroline; Tetrahedron 2009, V65(39), P8154-8160 CAPLUS
  3. (3) Lebegue, N.; Synthetic Communications 2004, V34(6), P1041-1048 CAPLUS
  4. (4) Pschorr, R.; Justus Liebigs Annalen der Chemie 1912, V391, P40-55 CAPLUS
  5. (5) Ambros, Reinhard; Archiv der Pharmazie (Weinheim, Germany) 1988, V321(8), P481-6 CAPLUS
  6. (6) Berman, Joseph D.; Journal of the American Chemical Society 1957, V79, P5474-6 CAPLUS
  7. (7) Berman, Joseph D.; Journal of Organic Chemistry 1958, V23, P102-3 CAPLUS
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