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CAS Number: 81590-55-8
ethyl 4-(2-bromoacetyl)benzoate

Structure

ethyl 4-(2-bromoacetyl)benzoate
Name: ethyl 4-(2-bromoacetyl)benzoate
Synonyms:
General Information
Product Number: 81590558
CAS Registry Number: 81590-55-8
Name:
Benzoic acid, 4-​(2-​bromoacetyl)​-​, ethyl ester
Benzoic acid, 4-​(bromoacetyl)​-​, ethyl ester (9CI); 4-​(2-​Bromoacetyl)​benzoic acid ethyl ester; Ethyl 4-​(2-​bromoacetyl)​benzoate; Ethyl 4-​(2'-​bromoacetyl)​benzoate; Ethyl 4-​(bromoacetyl)​benzoate 
 
Chemical Formula: C11H11BrO3
Exact Mass: 269.99
Molecular Weight: 271.11
m/z: 269.99 (100.0%), 271.99 (97.9%), 270.99 (12.0%), 272.99 (11.8%), 273.99 (1.2%)
Elemental Analysis: C, 48.73; H, 4.09; Br, 29.47; O, 17.70
 
InChI: InChI=1S/C11H11BrO3/c1-2-15-11(14)9-5-3-8(4-6-9)10(13)7-12/h3-6H,2,7H2,1H3
InChIKey: XMIVTAOFQJBIGO-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC=C(C=C1)C(=O)CBr
 
Thermal Properties Value Condition Note
Melting Point 75-76 °C Solv: hexane (110-54-3) (1)CAS

Specification

98%

References
  1. (1) Klupsch, Frederique; Chemical & Pharmaceutical Bulletin 2006, V54(9), P1318-1321 CAPLUS
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