1,1,2-tribromopropane

• ChemBase ID: 111432
• Molecular Formular: C3H5Br3
• Molecular Mass: 280.7838
• Monoisotopic Mass: 277.79413616
• SMILES: CC(Br)C(Br)Br
• Canonical SMILES: BrC(C(Br)C)Br
• InChI: InChI=1S/C3H5Br3/c1-2(4)3(5)6/h2-3H,1H3
• InChIKey: ZLOLQHBVMYXNHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2-tribromopropane
• IUPAC Traditional name: propane, 1,1,2-tribromo-
• Synonyms: 1,1,2-TRIBROMOPROPANE

Database IDs

• CAS Number: 14602-62-1
• PubChem SID: 162096614
• PubChem CID: 85756

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2792623
• LogD (pH = 7.4): 2.2792623
• Log P: 2.2792623
• Molar Refractivity: 38.7452 cm^3
• Polarizability: 15.3976555 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 200°C

DETAILS

MP Biomedicals - 05219148

MP Biomedicals Rare Chemical collection