chlorotrifluoromethane

• ChemBase ID: 8651
• Molecular Formular: CClF3
• Molecular Mass: 104.4589096
• Monoisotopic Mass: 103.96406234
• SMILES: FC(Cl)(F)F
• Canonical SMILES: FC(Cl)(F)F
• InChI: InChI=1S/CClF3/c2-1(3,4)5
• InChIKey: AFYPFACVUDMOHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorotrifluoromethane
• IUPAC Traditional name: chlorotrifluoromethane
• Synonyms: Trifluoromethyl chloride; CFC-13; Chlorotrifluoromethane; Monochlorotrifluoromethane; Trifluorochloromethane; Trifluoromethyl chloride; Trifluoromonochlorocarboe; Arcton 3, Freon 13, Genetron 13, R-13, CFC 13, UN 1022; Chlorotrifluoromethane; 三氟氯甲烷

Database IDs

• CAS Number: 75-72-9
• EC Number: 200-894-4
• MDL Number: MFCD00000773
• PubChem SID: 160971958
• PubChem CID: 6392
• Chemspider ID: 6152
• Wikipedia Title: Chlorotrifluoromethane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1338346
• LogD (pH = 7.4): 2.1338346
• Log P: 2.1338346
• Molar Refractivity: 2.3038 cm^3
• Polarizability: 4.6166377 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 0.009 % at 25 °C in water
• Apperance: Colorless gas with sweet odor
• Melting Point: -181 °C (91.2 K); -181°CC
• Boiling Point: -81°CC; -81.5 °C (191.7 K)
• Flash Point: Non-flammable
• Density: 1.526 g/cm^3
• Vapor Pressure: 3.263 MPa at 21 °C

Safety Information

• Storage Warning: GAS, OZONE DEPLETER
• RTECS: PA6410000
• European Hazard Symbols: Nature polluting (N)
• UN Number: 1022
• German water hazard class: 1
• Hazard Class: 2.2
• Risk Statements: 59
• Safety Statements: 59
• TSCA Listed: true
• EU Index: Not listed
• GHS Pictograms: GHS04; GHS07
• GHS Signal Word: Warning
• Main Hazard: Ozone depletor
• GHS Hazard statements: H280-H420
• GHS Precautionary statements: P410 + P403
• Personal Protective Equipment: Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1022 2.2

Product Information

• Purity: ≥99%; 97%
• Empirical Formula (Hill Notation): CClF3

DETAILS

Sigma Aldrich - 295175

Packaging
Packaged in lecture bottle
Recommended products
Brass control valve Z146943 or either of brass regulators Z146706 and Z146714 is recommended.