1,2-dibromocyclopent-1-ene

• ChemBase ID: 76922
• Molecular Formular: C5H6Br2
• Molecular Mass: 225.90914
• Monoisotopic Mass: 223.88362419
• SMILES: BrC1=C(CCC1)Br
• Canonical SMILES: BrC1=C(Br)CCC1
• InChI: InChI=1S/C5H6Br2/c6-4-2-1-3-5(4)7/h1-3H2
• InChIKey: PNWFXPGGROADNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dibromocyclopent-1-ene
• IUPAC Traditional name: 1,2-dibromocyclopent-1-ene
• Synonyms: 1,2-Dibromocyclopentene; 1,2-Dibromocyclopent-1-ene 98+%; 1,2-二溴环戊烯

Database IDs

• CAS Number: 75415-78-0
• MDL Number: MFCD00010246
• PubChem SID: 24856753; 162041821
• PubChem CID: 4438528

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3520489
• LogD (pH = 7.4): 2.3520489
• Log P: 2.3520489
• Molar Refractivity: 39.498 cm^3
• Polarizability: 14.792834 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 78 °C/5 mmHg(lit.); 78°C/5mm
• Flash Point: >113 °C; >113°C; >235.4 °F
• Density: 1.895; 1.895 g/mL at 25 °C(lit.)
• Refractive Index: 1.5558; n20/D 1.5558(lit.)

Safety Information

• Storage Warning: Irritant/Keep Cold
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C5H6Br2

DETAILS

Sigma Aldrich - 277320

Packaging
5 g in glass bottle