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CAS Number: 2527-99-3
methyl 5-bromofuran-2-carboxylate

Structure

methyl 5-bromofuran-2-carboxylate
Name: methyl 5-bromofuran-2-carboxylate
Synonyms:
General Information
Product Number: 2527993
CAS Registry Number: 2527-99-3
Name:
2-​Furancarboxylic acid, 5-​bromo-​, methyl ester
2-​Furoic acid, 5-​bromo-​, methyl ester (6CI,​7CI,​8CI); 5-​Bromo-​2-​furoic acid methyl ester; 5-​Bromofuran-​2-​carboxylic acid methyl ester; Methyl 2-​bromo-​5-​furancarboxylate; Methyl 5-​bromo-​2-​furoate; Methyl 5-​bromofuran-​2-​carboxylate 
 
Chemical Formula: C6H5BrO3
Exact Mass: 203.94
Molecular Weight: 205.01
m/z: 203.94 (100.0%), 205.94 (97.3%), 204.95 (6.7%), 206.94 (6.4%)
Elemental Analysis: C, 35.15; H, 2.46; Br, 38.98; O, 23.41
 
InChI: InChI=1S/C6H5BrO3/c1-9-6(8)4-2-3-5(7)10-4/h2-3H,1H3
InChIKey: FBPIDMAELBIRLE-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC=C(O1)Br
 
Thermal Properties Value Condition Note
Melting Point 64-65 °C   (2)CAS
Melting Point 63.5-64 °C   (4)IC
Melting Point 63 °C   (5)CAS

Specification

98%

References
  1. (1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  2. (2) Montana, John Gary; WO 2004045625 A1 2004 CAPLUS
  3. (3) Dang, Qun; Journal of the American Chemical Society 2007, V129(50), P15491-15502 CAPLUS
  4. (4) Cella, James A.; Journal of Organic Chemistry 1988, V53(9), P2099-103 CAPLUS
  5. (5) Shono, Toshiyuki; Kogyo Kagaku Zasshi 1957, V60, P370 CAPLUS
  6. (6) Belen'kii, L. I.; Khimiya Geterotsiklicheskikh Soedinenii 1975, (11), P1464-7 CAPLUS
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