hexabromoethane

• ChemBase ID: 169891
• Molecular Formular: C2Br6
• Molecular Mass: 503.4454
• Monoisotopic Mass: 497.510022
• SMILES: BrC(C(Br)(Br)Br)(Br)Br
• Canonical SMILES: BrC(C(Br)(Br)Br)(Br)Br
• InChI: InChI=1S/C2Br6/c3-1(4,5)2(6,7)8
• InChIKey: POJPQMDDRCILHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexabromoethane
• IUPAC Traditional name: hexabromoethane
• Synonyms: 1,1,1,2,2,2-Hexabromo-ethane; Hexabromoethane

Database IDs

• CAS Number: 594-73-0
• PubChem SID: 162264023
• PubChem CID: 136384

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.224074
• LogD (pH = 7.4): 4.224074
• Log P: 4.224074
• Molar Refractivity: 58.729 cm^3
• Polarizability: 23.503315 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Off-White Solid
• Melting Point: 220-222°C

Safety Information

• Storage Condition: -20°C Freezer