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CAS Number: 774-81-2
2-(3-bromo-4-methoxyphenyl)acetic acid

Structure

2-(3-bromo-4-methoxyphenyl)acetic acid
Name: 2-(3-bromo-4-methoxyphenyl)acetic acid
Synonyms:
General Information
Product Number: 774812

CAS Registry Number 774-81-2
Name:
Benzeneacetic acid, 3-?bromo-?4-?methoxy-
Acetic acid, (3-bromo-4-methoxyphenyl)- (6CI,7CI,8CI)
2-(3-Bromo-4-methoxyphenyl)acetic acid
3-Bromo-4-methoxyphenylacetic 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/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)

InChI Key:POTVGQUUEQTPNA-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 116-117 °C Solv: ethyl acetate (141-78-6) (4)CAS
Melting Point 115-118 °C   (5)CAS
Melting Point 115 °C   (6)IC
Melting Point 114-115 °C   (7)CAS
Melting Point 113-115 °C   (8)IC
Melting Point 113-114.5 °C   (9)CAS
Melting Point 113-114 °C   (10)CAS
Melting Point 113-114 °C   (1)CAS
Melting Point See full text   (3)CAS

Specification

98%

References
  1. (1) Zou, Yong; Journal of Chemical Research 2008, (6), P354-356 CAPLUS
  2. (3) Chen, Yu; Synthesis 2011, (2), P217-222 CAPLUS
  3. (4) Wasserman, Harry H.; Journal of Organic Chemistry 1998, V63(16), P5581-5586 CAPLUS
  4. (5) Kondo, Heisaburo; Itsuu Kenkyusho Nempo 1958, V9, P1-6 CAPLUS
  5. (6) Ambros, Reinhard; Archiv der Pharmazie (Weinheim, Germany) 1988, V321(8), P481-6 CAPLUS
  6. (7) Naik, R. G.; Journal of the Chemical Society 1938, P1780-3 CAPLUS
  7. (8) Weller, Dwight D.; Journal of Organic Chemistry 1984, V49(11), P2061-3 CAPLUS
  8. (9) Tolkachev, O. N.; Zhurnal Obshchei Khimii 1961, V31, P1540-5 CAPLUS
  9. (10) Aroyan, A. A.; Izvestiya Akademii Nauk Armyanskoi SSR, Khimicheskie Nauki 1964, V17(5), P532-42 CAPLUS
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