1,1,1,2-tetrabromoethane

• ChemBase ID: 107061
• Molecular Formular: C2H2Br4
• Molecular Mass: 345.65328
• Monoisotopic Mass: 341.68899806
• SMILES: BrCC(Br)(Br)Br
• Canonical SMILES: BrCC(Br)(Br)Br
• InChI: InChI=1S/C2H2Br4/c3-1-2(4,5)6/h1H2
• InChIKey: RVHSTXJKKZWWDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2-tetrabromoethane
• IUPAC Traditional name: 1,1,1,2-tetrabromoethane
• Synonyms: TETRABROMOETHANE

Database IDs

• CAS Number: 79-27-6
• EC Number: 201-191-5
• PubChem SID: 162093359
• PubChem CID: 61179

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0477846
• LogD (pH = 7.4): 3.0477846
• Log P: 3.0477846
• Molar Refractivity: 42.6758 cm^3
• Polarizability: 16.965574 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: KI8225000
• European Hazard Symbols: Highly toxic (T+)
• Risk Statements: R:26-36-52/53
• Safety Statements: S:24-27-45-61

DETAILS

MP Biomedicals - 05202407

MP Biomedicals Rare Chemical collection