bis(bromomethyl)(2H4)benzene

• ChemBase ID: 166983
• Molecular Formular: C8H8Br2
• Molecular Mass: 263.95712
• Monoisotopic Mass: 261.89927426
• SMILES: c1c(ccc(c1)CBr)CBr
• Canonical SMILES: BrCc1ccc(cc1)CBr
• InChI: InChI=1S/C8H8Br2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6H2
• InChIKey: RBZMSGOBSOCYHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(bromomethyl)(^2H₄)benzene
• IUPAC Traditional name: bis(bromomethyl)(^2H₄)benzene
• Synonyms: 1,4-Bis(bromomethyl)benzene-d4; 1,4-Xylylene-d4 Dibromide; 4-Bromomethylbenzyl-d4 Bromide; p-Xylylene-d4 Bromide; NSC 6226-d4; 1,4-Di(bromomethyl)benzene-d4

Database IDs

• PubChem SID: 162261116
• PubChem CID: 71315942

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5187206
• LogD (pH = 7.4): 3.5187206
• Log P: 3.5187206
• Molar Refractivity: 51.7588 cm^3
• Polarizability: 19.577202 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Methanol
• Apperance: White Solid