(Z)-1,2-dichloro(1,2-13C2)ethene

• ChemBase ID: 136626
• Molecular Formular: C2H2Cl2
• Molecular Mass: 98.92858968
• Monoisotopic Mass: 97.9600651
• SMILES: [13CH](=[13CH]\Cl)\Cl
• Canonical SMILES: Cl/[13CH]=[13CH]\Cl
• InChI: InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-/i1+1,2+1
• InChIKey: KFUSEUYYWQURPO-GQTGYUFJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-1,2-dichloro(1,2-^1^3C₂)ethene
• IUPAC Traditional name: (Z)-1,2-dichloro(1,2-^1^3C₂)ethene
• Synonyms: cis-Acetylene-13C2 dichloride; cis-1,2-Dichloroethylene-13C2

Database IDs

• MDL Number: MFCD20527181
• PubChem SID: 162230896
• PubChem CID: 71309954

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.741204
• LogD (pH = 7.4): 1.741204
• Log P: 1.741204
• Molar Refractivity: 19.579 cm^3
• Polarizability: 7.9331503 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -80 °C(lit.)
• Boiling Point: 60 °C(lit.)
• Density: 1.310 g/mL at 25 °C(lit.)
• Mass Shift: M+2

Product Information

• Purity: 97% (CP)
• Isotopic Purity: 99 atom % 13C
• Mol. Weight: mol wt 98.91 by atom % calculation
• Linear Formula: Cl13CH13CHCl

DETAILS

Sigma Aldrich - 676586

包装
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.