(13C2)ethene

• ChemBase ID: 149485
• Molecular Formular: C2H4
• Molecular Mass: 30.03846968
• Monoisotopic Mass: 30.0380098
• SMILES: [13CH2]=[13CH2]
• Canonical SMILES: [13CH2]=[13CH2]
• InChI: InChI=1S/C2H4/c1-2/h1-2H2/i1+1,2+1
• InChIKey: VGGSQFUCUMXWEO-ZDOIIHCHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^3C₂)ethene
• IUPAC Traditional name: (^1^3C₂)ethene
• Synonyms: Ethene-13C2; Ethylene-13C2; 乙撑-13C2; 乙烯-13C2

Database IDs

• CAS Number: 51915-19-6
• MDL Number: MFCD00083966
• PubChem SID: 162243650; 24872475
• PubChem CID: 12242921

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.1068089
• LogD (pH = 7.4): 1.1068089
• Log P: 1.1068089
• Molar Refractivity: 9.9758 cm^3
• Polarizability: 4.227136 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: -169 °C(lit.)
• Boiling Point: -104 °C(lit.)
• Auto Ignition Point: 842 °F
• Vapor Density: 0.97 (vs air)
• Mass Shift: M+2

Safety Information

• European Hazard Symbols: Highly flammable (F+)
• UN Number: 1962
• German water hazard class: nwg
• Hazard Class: 2.1
• Risk Statements: 12-67
• Safety Statements: 9-16-33-45
• GHS Pictograms: GHS02; GHS04; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H220-H280-H336
• GHS Precautionary statements: P210-P261-P410 + P403
• RID/ADR: UN 1962 2.1

Product Information

• Isotopic Purity: 99 atom % 13C
• Mol. Weight: mol wt 30.02 by atom % calculation
• Linear Formula: H213C=13CH2

DETAILS

Sigma Aldrich - 489352

Packaging
Lecture bottle with brass CGA 110/180 valve
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.
Recommended products
Stainless steel control valve Z146951 or Z187224 is recommended.