1-chloro-1,1,2,2,2-pentafluoroethane

• ChemBase ID: 126534
• Molecular Formular: C2ClF5
• Molecular Mass: 154.466416
• Monoisotopic Mass: 153.96086878
• SMILES: FC(F)(F)C(Cl)(F)F
• Canonical SMILES: FC(C(F)(F)F)(Cl)F
• InChI: InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8
• InChIKey: RFCAUADVODFSLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-1,1,2,2,2-pentafluoroethane
• IUPAC Traditional name: chloropentafluoroethane
• Synonyms: CFC-115; Chloropentafluoroethane; Freon 115, CFC-115, R-115; Chloropentafluoroethane; 氯五氟乙烷

Database IDs

• CAS Number: 76-15-3
• MDL Number: MFCD00000777
• PubChem SID: 162220866
• PubChem CID: 6430
• CHEMBL: 502216
• Chemspider ID: 6190
• Unique Ingredient Identifier: SJG47X19V4
• Wikipedia Title: Chloropentafluoroethane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.288404
• LogD (pH = 7.4): 2.288404
• Log P: 2.288404
• Molar Refractivity: 17.704 cm^3
• Polarizability: 6.5224414 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 59 mg/L in water
• Apperance: Coluorless gas
• Melting Point: -99 °C, 174.15 K, -146.2 °F
• Boiling Point: -39.1 °C, 234.05 K, -38.38 °F
• Flash Point: 70.4 °C

Safety Information

• Safety Statements: R
• Main Hazard: In high concentrations may cause asphyxiation.

Product Information

• Purity: ≥98%
• Empirical Formula (Hill Notation): C2ClF5

DETAILS

Sigma Aldrich - 295159

Packaging
Packaged in steel cylinders
Recommended products
Brass regulator Z146706 or Z146714 is recommended.