1-bromo(1,2-13C2)ethene

• ChemBase ID: 134888
• Molecular Formular: C2H3Br
• Molecular Mass: 108.93452968
• Monoisotopic Mass: 107.94852177
• SMILES: [13CH2]=[13CH]Br
• Canonical SMILES: Br[13CH]=[13CH2]
• InChI: InChI=1S/C2H3Br/c1-2-3/h2H,1H2/i1+1,2+1
• InChIKey: INLLPKCGLOXCIV-ZDOIIHCHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo(1,2-^1^3C₂)ethene
• IUPAC Traditional name: 1-bromo(1,2-^1^3C₂)ethene
• Synonyms: Bromoethylene-13C2; Vinyl-13C2 Bromide; 溴乙烯-13C2; 乙烯基-13C2 溴化物

Database IDs

• MDL Number: MFCD01075585
• PubChem SID: 162229164
• PubChem CID: 71308963

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.5887144
• LogD (pH = 7.4): 1.5887144
• Log P: 1.5887144
• Molar Refractivity: 17.5954 cm^3
• Polarizability: 7.0464683 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: gas
• Melting Point: -139 °C(lit.)
• Boiling Point: 16 °C/750 mmHg(lit.)
• Mass Shift: M+2

Safety Information

• European Hazard Symbols: Highly flammable (F+); Toxic (T)
• UN Number: 1085
• German water hazard class: 2
• Hazard Class: 2.1
• Risk Statements: 45-12
• Safety Statements: 53.1-45
• RID/ADR: UN 1085 2.1

Product Information

• Isotopic Purity: 99 atom % 13C
• Linear Formula: H213C13CHBr

DETAILS

Sigma Aldrich - 590959

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.