1,4-dibromo-2,3-bis(bromomethyl)but-2-ene

• ChemBase ID: 280918
• Molecular Formular: C6H8Br4
• Molecular Mass: 399.74372
• Monoisotopic Mass: 395.73594826
• SMILES: C(=C(CBr)CBr)(CBr)CBr
• Canonical SMILES: BrCC(=C(CBr)CBr)CBr
• InChI: InChI=1S/C6H8Br4/c7-1-5(2-8)6(3-9)4-10/h1-4H2
• InChIKey: GJZKNORRVIUCCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dibromo-2,3-bis(bromomethyl)but-2-ene
• IUPAC Traditional name: 1,4-dibromo-2,3-bis(bromomethyl)but-2-ene
• Synonyms: 1,4-dibromo-2,3-bis(bromomethyl)but-2-ene

Database IDs

• CAS Number: 30432-16-7
• MDL Number: MFCD00017889
• PubChem SID: 180666449
• PubChem CID: 35343

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.4040654
• LogD (pH = 7.4): 3.4040654
• Log P: 3.4040654
• Molar Refractivity: 61.1236 cm^3
• Polarizability: 23.475666 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.536

Product Information

• Purity: 95%; 95+%