1,4-dibromo-2,5-bis(bromomethyl)benzene

• ChemBase ID: 75509
• Molecular Formular: C8H6Br4
• Molecular Mass: 421.74924
• Monoisotopic Mass: 417.72029819
• SMILES: Brc1c(cc(c(c1)CBr)Br)CBr
• Canonical SMILES: BrCc1cc(Br)c(cc1Br)CBr
• InChI: InChI=1S/C8H6Br4/c9-3-5-1-7(11)6(4-10)2-8(5)12/h1-2H,3-4H2
• InChIKey: UOCMTKLYRROETA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dibromo-2,5-bis(bromomethyl)benzene
• IUPAC Traditional name: 1,4-dibromo-2,5-bis(bromomethyl)benzene
• Synonyms: 4-(Bromomethyl)-2,5-dibromobenzyl bromide; 2,5-Bis(bromomethyl)-1,4-dibromobenzene 97%

Database IDs

• CAS Number: 35335-16-1
• MDL Number: MFCD03411745
• PubChem SID: 162040427
• PubChem CID: 640222

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.056226
• LogD (pH = 7.4): 5.056226
• Log P: 5.056226
• Molar Refractivity: 67.0044 cm^3
• Polarizability: 25.926853 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Lachrymatory