1-chloro(2H3)ethene

• ChemBase ID: 136135
• Molecular Formular: C2H3Cl
• Molecular Mass: 62.49822
• Monoisotopic Mass: 61.99232778
• SMILES: C=CCl
• Canonical SMILES: ClC=C
• InChI: InChI=1S/C2H3Cl/c1-2-3/h2H,1H2
• InChIKey: BZHJMEDXRYGGRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro(^2H₃)ethene
• IUPAC Traditional name: 1-chloro(^2H₃)ethene
• Synonyms: Chloroethylene-d3; Vinyl chloride-d3; 氯乙烯-d3

Database IDs

• CAS Number: 6745-35-3
• MDL Number: MFCD00145526
• PubChem SID: 162230406
• PubChem CID: 138822

CALCULATED PROPERTIES

• 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: 5.999941 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -153.8 °C(lit.)
• Boiling Point: -13.4 °C(lit.)
• Density: 0.911 g/mL at 25 °C
• Mass Shift: M+3

Safety Information

• European Hazard Symbols: Highly flammable (F+); Toxic (T)
• UN Number: 1086
• German water hazard class: 2
• Hazard Class: 2.1
• Risk Statements: 45-12
• Safety Statements: 53-45
• GHS Pictograms: GHS02; GHS04; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H220-H280-H350
• GHS Precautionary statements: P201-P210-P308 + P313-P410 + P403
• RID/ADR: UN 1086 2.1

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 65.46 g/mol
• Linear Formula: D2C=CDCl

DETAILS

Sigma Aldrich - 615056

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.