1,1,1,2,2-pentabromoethane

• ChemBase ID: 110836
• Molecular Formular: C2HBr5
• Molecular Mass: 424.54934
• Monoisotopic Mass: 419.59951003
• SMILES: BrC(Br)C(Br)(Br)Br
• Canonical SMILES: BrC(C(Br)(Br)Br)Br
• InChI: InChI=1S/C2HBr5/c3-1(4)2(5,6)7/h1H
• InChIKey: OGVPXEPSTZMAFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2-pentabromoethane
• IUPAC Traditional name: pentabromoethane
• Synonyms: PENTABROMOETHANE

Database IDs

• CAS Number: 75-95-6
• EC Number: 200-918-3
• PubChem SID: 162096482
• PubChem CID: 60967

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7647145
• LogD (pH = 7.4): 2.7647145
• Log P: 2.7647145
• Molar Refractivity: 50.3796 cm^3
• Polarizability: 20.226381 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 56°C
• Boiling Point: 210°C
• Density: 3.312 g/ml

Safety Information

• RTECS: KI6150000

DETAILS

MP Biomedicals - 05216524

MP Biomedicals Rare Chemical collection