1,2,3,4-tetrabromobutane

• ChemBase ID: 111362
• Molecular Formular: C4H6Br4
• Molecular Mass: 373.70644
• Monoisotopic Mass: 369.72029819
• SMILES: BrCC(Br)C(Br)CBr
• Canonical SMILES: BrCC(C(CBr)Br)Br
• InChI: InChI=1S/C4H6Br4/c5-1-3(7)4(8)2-6/h3-4H,1-2H2
• InChIKey: HGRZLIGHKHRTRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrabromobutane
• IUPAC Traditional name: 1,2,3,4-tetrabromobutane
• Synonyms: 1,2,3,4-TETRABROMOBUTANE

Database IDs

• CAS Number: 1529-68-6
• EC Number: 216-221-2
• PubChem SID: 162103249
• PubChem CID: 15221

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6909995
• LogD (pH = 7.4): 3.6909995
• Log P: 3.6909995
• Molar Refractivity: 50.6166 cm^3
• Polarizability: 20.304836 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 117°C

Safety Information

• RTECS: EK6105000

DETAILS

MP Biomedicals - 05218841

MP Biomedicals Rare Chemical collection