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Record Information
Version1.0
Creation Date2016-05-19 01:32:58 UTC
Update Date2016-11-09 01:09:16 UTC
Accession NumberCHEM004033
Identification
Common NameCFC-115
ClassSmall Molecule
DescriptionAerating agent for foamed or sprayed food products Chloropentafluoroethane is a chlorofluorocarbon once used as a refrigerant. Its production and consumption has been banned since 1 January 1996 under the Montreal Protocol because of its ozone-depleting potential
Contaminant Sources
  • Clean Air Act Chemicals
  • EAFUS Chemicals
  • FooDB Chemicals
  • HPV EPA Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
e945HMDB
(mono)ChloropentafluoroethaneHMDB
1-Chloro-1,1,2,2,2-pentafluoro-ethaneHMDB
1-Chloro-1,1,2,2,2-pentafluoroethaneHMDB
Arcton 115HMDB
CF3cf2CLHMDB
CFC 115HMDB
ChloropentafluoretanoHMDB
ChloropentafluorethaneHMDB
Chloropentafluoro-ethaneHMDB
ChloroperfluoroethaneHMDB
Freon 115HMDB
Genetron 115HMDB
Halocarbon 115HMDB
MonochloropentafluoroethaneHMDB
PentafluorochloroethaneHMDB
Pentafluoroethyl chlorideHMDB
Perfluoroethyl chlorideHMDB
Propellant 115HMDB
Refrigerant 115HMDB
Fluorocarbon 115HMDB
ChloropentafluoroethaneMeSH
Chemical FormulaC2ClF5
Average Molecular Mass154.466 g/mol
Monoisotopic Mass153.961 g/mol
CAS Registry Number76-15-3
IUPAC Name1-chloro-1,1,2,2,2-pentafluoroethane
Traditional Namechloropentafluoroethane
SMILESFC(F)(F)C(F)(F)Cl
InChI IdentifierInChI=1S/C2ClF5/c3-1(4,5)2(6,7)8
InChI KeyRFCAUADVODFSLZ-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as chlorofluorocarbons. These are alkyhalide compounds that are composed only of chlorine, fluorine, and carbon atoms.
KingdomOrganic compounds
Super ClassOrganohalogen compounds
ClassAlkyl halides
Sub ClassAlkyl chlorides
Direct ParentChlorofluorocarbons
Alternative Parents
Substituents
  • Chlorofluorocarbon
  • Hydrocarbon derivative
  • Organofluoride
  • Organochloride
  • Alkyl fluoride
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.47 g/LALOGPS
logP2.41ALOGPS
logP2.29ChemAxon
logS-2.5ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity17.7 m³·mol⁻¹ChemAxon
Polarizability6.86 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MSsplash10-0fsi-4900000000-5cbeed6ca55f89fadfefView in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MSNot Available
Predicted GC-MSPredicted GC-MS Spectrum - GC-MSNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0udi-0900000000-3e04a73dfcba26507a49View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0udi-0900000000-3e04a73dfcba26507a49View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0udi-0900000000-3e04a73dfcba26507a49View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0udi-0900000000-f70dc7e884a85ca31911View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0udi-0900000000-f70dc7e884a85ca31911View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0udi-0900000000-f70dc7e884a85ca31911View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0udi-0900000000-beeed8f0c08aab6163c9View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0udi-0900000000-beeed8f0c08aab6163c9View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0ue9-1900000000-6a69b2f40998f74b9cb9View in MoNA
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB0031333
FooDB IDFDB003396
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkChloropentafluoroethane
Chemspider ID6190
ChEBI ID598101
PubChem Compound ID6430
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. Terrill JB: Arterial venous blood levels of chloropentafluoroethane: inhalation versus oral exposures. Am Ind Hyg Assoc J. 1974 May;35(5):269-75.
2. Fitzgerald RL, Fishel CE, Bush LL: Fatality due to recreational use of chlorodifluoromethane and chloropentafluoroethane. J Forensic Sci. 1993 Mar;38(2):477-83.
3. d'Errico F, Nath R, Lamba M, Holland SK: A position-sensitive superheated emulsion chamber for three-dimensional photon dosimetry. Phys Med Biol. 1998 May;43(5):1147-58.
4. Clayton JW Jr, Hood DB, Nick MS, Waritz RS: Inhalation studies on chloropentafluoroethane. Am Ind Hyg Assoc J. 1966 May-Jun;27(3):234-8.
5. Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.