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

• ChemBase ID: 136670
• Molecular Formular: C2H3Cl
• Molecular Mass: 64.48352968
• Monoisotopic Mass: 63.99903745
• SMILES: [13CH2]=[13CH]Cl
• Canonical SMILES: Cl[13CH]=[13CH2]
• InChI: InChI=1S/C2H3Cl/c1-2-3/h2H,1H2/i1+1,2+1
• InChIKey: BZHJMEDXRYGGRV-ZDOIIHCHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro(1,2-^1^3C₂)ethene
• IUPAC Traditional name: 1-chloro(1,2-^1^3C₂)ethene
• Synonyms: Chloroethylene-13C2; Vinyl-13C2 chloride

Database IDs

• MDL Number: MFCD00145525
• PubChem SID: 162230940
• PubChem CID: 71309975

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.4240065
• LogD (pH = 7.4): 1.4240065
• Log P: 1.4240065
• Molar Refractivity: 14.7774 cm^3
• Polarizability: 6.007442 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0

PROPERTIES

Physical Property

• Melting Point: -153.8 °C(lit.)
• Boiling Point: -13.4 °C(lit.)
• Mass Shift: M+2

Product Information

• Purity: 98% (CP)
• Isotopic Purity: 99 atom % 13C
• Mol. Weight: mol wt 64.46 by atom % calculation
• Linear Formula: 13CH2=13CHCl

DETAILS

Sigma Aldrich - 691976

包装
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