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CAS Number: 42287-90-1
3-(3-bromophenyl)propanoic acid

Structure

 3-(3-bromophenyl)propanoic acid
Name: 3-(3-bromophenyl)propanoic acid
Synonyms:
General Information
Product Number: 42287901

CAS Registry Number 42287-90-1
Name:
Benzenepropanoic acid, 3-?bromo-
3-(3-Bromophenyl)propanoic acid
3-(3-Bromophenyl)propionic acid
3-Bromobenzenepropanoic acid
m-Bromohydrocinnamic acid

 

Chemical Formula: C9H9BrO2
Exact Mass: 227.98
Molecular Weight: 229.07
m/z: 227.98 (100.0%), 229.98 (97.7%), 228.98 (9.9%), 230.98 (9.6%)

 

InChI:InChI=1S/C9H9BrO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H,11,12)

InChI Key:DWKWMFSWLCIMKI-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC(=C1)Br)CCC(=O)O

 

Thermal Properties Value Condition Note
Melting Point 74 °C Solv: hexane (110-54-3) (4)CAS
Melting Point 74 °C   (5)IC
Melting Point 66-72 °C Solv: dichloromethane (75-09-2); hexane (110-54-3) (3)CAS

Specification

98%
References
  1. (3) End, Nicole; Chemistry & Biodiversity 2004, V1(11), P1771-1784 CAPLUS
  2. (4) Matveeva, E. D.; Russian Journal of Organic Chemistry (Translation of Zhurnal Organicheskoi Khimii) 2002, V38(12), P1769-1774 CAPLUS
  3. (5) Babin, Didier; WO 8908096 A1 1989 CAPLUS
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