1,2-dibromo(1,1,2-2H3)ethane

• ChemBase ID: 134970
• Molecular Formular: C2H4Br2
• Molecular Mass: 187.86116
• Monoisotopic Mass: 185.86797413
• SMILES: C(CBr)Br
• Canonical SMILES: BrCCBr
• InChI: InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2
• InChIKey: PAAZPARNPHGIKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dibromo(1,1,2-^2H₃)ethane
• IUPAC Traditional name: 1,2-dibromo(1,1,2-^2H₃)ethane
• Synonyms: Ethylene-d3 dibromide; 1,2-Dibromoethane-d3; 乙撑-d3 二溴; 1,2-二溴乙烷-d3

Database IDs

• MDL Number: MFCD01317428
• PubChem SID: 162229245
• PubChem CID: 145524

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.8714951
• LogD (pH = 7.4): 1.8714951
• Log P: 1.8714951
• Molar Refractivity: 26.6226 cm^3
• Polarizability: 10.456603 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 8-11 °C(lit.)
• Boiling Point: 131-132 °C(lit.)
• Density: 2.214 g/mL at 25 °C
• Mass Shift: M+3

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 190.82 by atom % calculation
• Linear Formula: BrCDHCD2Br

DETAILS

Sigma Aldrich - 616540

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.