2,2-dichloro-1,1,1-trifluoroethane

• ChemBase ID: 10762
• Molecular Formular: C2HCl2F3
• Molecular Mass: 152.9305496
• Monoisotopic Mass: 151.94074005
• SMILES: C(C(Cl)Cl)(F)(F)F
• Canonical SMILES: ClC(C(F)(F)F)Cl
• InChI: InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H
• InChIKey: OHMHBGPWCHTMQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dichloro-1,1,1-trifluoroethane
• IUPAC Traditional name: 2,2-dichloro-1,1,1-trifluoroethane
• Synonyms: 1,1,1-Trifluoro-2,2-dichloroethane; Dichlorotrifluoromethylmethane; Dichlorotrifluoroethane; Freon 123, HCFC-123, R 123; 2,2-Dichloro-1,1,1-trifluoroethane

Database IDs

• CAS Number: 306-83-2
• EC Number: 206-190-3
• MDL Number: MFCD00042132
• PubChem SID: 160974069
• PubChem CID: 9385
• Chemspider ID: 9016
• Wikipedia Title: 2,2-Dichloro-1,1,1-trifluoroethane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.4598112
• LogD (pH = 7.4): 2.4598112
• Log P: 2.4598112
• Molar Refractivity: 21.8165 cm^3
• Polarizability: 8.210518 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 0.39% in water
• Apperance: Colorless liquid
• Melting Point: -107°C
• Boiling Point: 27.1°C; 27.82°C
• Density: 1.4638 g/cm^3
• Refractive Index: 1.3392
• Vapor Pressure: 89.3 kPa

Safety Information

• Storage Warning: IRRITANT, GAS, OZONE DEPLETER
• RTECS: KI1108000
• TSCA Listed: true
• NFPA704:
  

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Product Information

• Purity: 99%