1,2,5,6-tetrabromohexane

• ChemBase ID: 112128
• Molecular Formular: C6H10Br4
• Molecular Mass: 401.7596
• Monoisotopic Mass: 397.75159832
• SMILES: BrCC(Br)CCC(Br)CBr
• Canonical SMILES: BrCC(CCC(CBr)Br)Br
• InChI: InChI=1S/C6H10Br4/c7-3-5(9)1-2-6(10)4-8/h5-6H,1-4H2
• InChIKey: WPBWUVCMCYXPFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,5,6-tetrabromohexane
• IUPAC Traditional name: 1,2,5,6-tetrabromohexane
• Synonyms: 1,2,5,6-TETRABROMOHEXANE; 1,2,5,6-Tetrabromohexane; 1,2,5,6-四溴己烷

Database IDs

• CAS Number: 58443-86-0
• MDL Number: MFCD00049137
• PubChem SID: 162098156
• PubChem CID: 94047

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.268322
• LogD (pH = 7.4): 4.268322
• Log P: 4.268322
• Molar Refractivity: 60.1266 cm^3
• Polarizability: 23.731781 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05222675

MP Biomedicals Rare Chemical collection