7-bromo-1-benzofuran

• ChemBase ID: 77715
• Molecular Formular: C8H5BrO
• Molecular Mass: 197.0287
• Monoisotopic Mass: 195.95237678
• SMILES: o1c2c(cccc2cc1)Br
• Canonical SMILES: Brc1cccc2c1occ2
• InChI: InChI=1S/C8H5BrO/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5H
• InChIKey: GPZPQJITKRSVQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-1-benzofuran
• IUPAC Traditional name: 7-bromo-1-benzofuran
• Synonyms: 7-Bromobenzo[b]furan; 7-Bromobenzofuran; 7-Bromobenzo[b]furan; 7-Bromo-benzofuran

Database IDs

• CAS Number: 133720-60-2
• MDL Number: MFCD09056756
• PubChem SID: 162042586
• PubChem CID: 113628

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9011219
• LogD (pH = 7.4): 2.9011219
• Log P: 2.9011219
• Molar Refractivity: 42.5219 cm^3
• Polarizability: 17.433994 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 90%; 95+%; 97%; 98%