ethyl 5-bromofuran-2-carboxylate

• ChemBase ID: 298121
• Molecular Formular: C7H7BrO3
• Molecular Mass: 219.03268
• Monoisotopic Mass: 217.95785608
• SMILES: CCOC(=O)c1ccc(o1)Br
• Canonical SMILES: CCOC(=O)c1ccc(o1)Br
• InChI: InChI=1S/C7H7BrO3/c1-2-10-7(9)5-3-4-6(8)11-5/h3-4H,2H2,1H3
• InChIKey: GVAPLPBPJARJEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-bromofuran-2-carboxylate
• IUPAC Traditional name: ethyl 5-bromofuran-2-carboxylate
• Synonyms: Ethyl 5-bromofuran-2-carboxylate, 97+%; 5-Bromo-2-furoic acid ethyl ester; Ethyl 5-bromo-2-furoate; ETHYL 5-BROMOFURAN-2-CARBOXYLATE; 5-溴-2-糠酸乙酯

Database IDs

• CAS Number: 6132-37-2
• MDL Number: MFCD00092362
• PubChem SID: 180683652
• PubChem CID: 345282

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8628855
• LogD (pH = 7.4): 1.8628855
• Log P: 1.8628855
• Molar Refractivity: 42.6276 cm^3
• Polarizability: 16.601658 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97+%; 98%