1-chloro-2-fluoroethane

• ChemBase ID: 7168
• Molecular Formular: C2H4ClF
• Molecular Mass: 82.5045632
• Monoisotopic Mass: 81.99855603
• SMILES: C(CF)Cl
• Canonical SMILES: FCCCl
• InChI: InChI=1S/C2H4ClF/c3-1-2-4/h1-2H2
• InChIKey: VEZJSKSPVQQGIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-2-fluoroethane
• IUPAC Traditional name: 1-chloro-2-fluoroethane
• Synonyms: 1-Chloro-2-fluoroethane

Database IDs

• CAS Number: 762-50-5
• MDL Number: MFCD00069127
• PubChem SID: 160970475
• PubChem CID: 12983

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.0370046
• LogD (pH = 7.4): 1.0370046
• Log P: 1.0370046
• Molar Refractivity: 15.9125 cm^3
• Polarizability: 6.1277103 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 53°C
• Density: 1.167
• Refractive Index: 1.373

Safety Information

• Storage Warning: TOXIC, FLAMMABLE, OZONE DEPLETER
• RTECS: KH7785000
• TSCA Listed: false

Product Information

• Purity: 97%