1,3-dibromo-2-(bromomethyl)benzene

• ChemBase ID: 65815
• Molecular Formular: C7H5Br3
• Molecular Mass: 328.8266
• Monoisotopic Mass: 325.79413616
• SMILES: c1(cccc(c1CBr)Br)Br
• Canonical SMILES: BrCc1c(Br)cccc1Br
• InChI: InChI=1S/C7H5Br3/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
• InChIKey: QFXJJFWSOLXOSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dibromo-2-(bromomethyl)benzene
• IUPAC Traditional name: 1,3-dibromo-2-(bromomethyl)benzene
• Synonyms: 1,3-Dibromo-2-(bromomethyl)benzene

Database IDs

• CAS Number: 93701-32-7
• MDL Number: MFCD13185505
• PubChem SID: 162031554
• PubChem CID: 13381015

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.2834883
• LogD (pH = 7.4): 4.2834883
• Log P: 4.2834883
• Molar Refractivity: 54.154 cm^3
• Polarizability: 21.039696 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%