1,4-bis(bromomethyl)cyclohexane

• ChemBase ID: 797998
• Molecular Formular: C8H14Br2
• Molecular Mass: 270.00476
• Monoisotopic Mass: 267.94622445
• SMILES: C1(CCC(CC1)CBr)CBr
• Canonical SMILES: BrCC1CCC(CC1)CBr
• InChI: InChI=1S/C8H14Br2/c9-5-7-1-2-8(6-10)4-3-7/h7-8H,1-6H2
• InChIKey: MYALOPJJAPLQSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-bis(bromomethyl)cyclohexane
• IUPAC Traditional name: 1,4-bis(bromomethyl)cyclohexane
• Synonyms: 1,4-Bis-bromomethyl-cyclohexane

Database IDs

• CAS Number: 35541-75-4

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6041746
• LogD (pH = 7.4): 3.6041746
• Log P: 3.6041746
• Molar Refractivity: 52.4756 cm^3
• Polarizability: 20.334225 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%