1-bromo-4-cyclopropylbenzene

• ChemBase ID: 92170
• Molecular Formular: C9H9Br
• Molecular Mass: 197.07176
• Monoisotopic Mass: 195.98876229
• SMILES: Brc1ccc(cc1)C1CC1
• Canonical SMILES: Brc1ccc(cc1)C1CC1
• InChI: InChI=1S/C9H9Br/c10-9-5-3-8(4-6-9)7-1-2-7/h3-7H,1-2H2
• InChIKey: JRDNBWVMEFUNCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-4-cyclopropylbenzene
• IUPAC Traditional name: 1-bromo-4-cyclopropylbenzene
• Synonyms: (4-Bromophenyl)cyclopropane; 1-Bromo-4-cyclopropylbenzene; 4-Bromocyclopropylbenzene

Database IDs

• CAS Number: 1124-14-7
• MDL Number: MFCD00101828
• PubChem SID: 162078868
• PubChem CID: 12221355

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5232816
• LogD (pH = 7.4): 3.5232816
• Log P: 3.5232816
• Molar Refractivity: 46.0694 cm^3
• Polarizability: 17.769358 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 15°C
• Boiling Point: 231°C
• Flash Point: 96°C
• Density: 1.474

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive

Product Information

• Purity: 98%