(2H3)ethene

• ChemBase ID: 134661
• Molecular Formular: C2H4
• Molecular Mass: 28.05316
• Monoisotopic Mass: 28.03130013
• SMILES: C=C
• Canonical SMILES: C=C
• InChI: InChI=1S/C2H4/c1-2/h1-2H2
• InChIKey: VGGSQFUCUMXWEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₃)ethene
• IUPAC Traditional name: (^2H₃)ethene
• Synonyms: Ethylene-d3; 乙烯-d3

Database IDs

• CAS Number: 2680-01-5
• MDL Number: MFCD01074116
• PubChem SID: 162228937
• PubChem CID: 137677

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

• Boiling Point: -104 °C(lit.)
• Flash Point: -100 °C; -148 °F
• Mass Shift: M+3

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

• Purity: 99% (CP)
• Isotopic Purity: 98 atom % D
• Linear Formula: D2C=CHD

DETAILS

Sigma Aldrich - 586900

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.