1,2-dichloro-1,1,2,2-tetrafluoroethane

• ChemBase ID: 125105
• Molecular Formular: C2Cl2F4
• Molecular Mass: 170.9210128
• Monoisotopic Mass: 169.93131824
• SMILES: ClC(F)(F)C(F)(F)Cl
• Canonical SMILES: FC(C(Cl)(F)F)(Cl)F
• InChI: InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8
• InChIKey: DDMOUSALMHHKOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dichloro-1,1,2,2-tetrafluoroethane
• IUPAC Traditional name: 1,2-dichlorotetrafluoroethane
• Synonyms: CFC-114; 1,2-Dichlorotetrafluoroethane; R-114, CFC-114, halon 242, cryofluorane; 1,2-Dichlorotetrafluoroethane; 1,2-二氯四氟乙烷

Database IDs

• CAS Number: 76-14-2
• EC Number: 200-937-7
• MDL Number: MFCD00000778
• PubChem SID: 24857766; 162219455
• PubChem CID: 6429
• Chemspider ID: 6189
• Unique Ingredient Identifier: 6B5VVT93AR
• Wikipedia Title: 1,2-Dichlorotetrafluoroethane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.4950907
• LogD (pH = 7.4): 2.4950907
• Log P: 2.4950907
• Molar Refractivity: 22.5388 cm^3
• Polarizability: 8.3407345 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -94 °C; -94 °C(lit.)
• Boiling Point: 3.5 °C; 3.8 °C(lit.)
• Density: 1.455 g/cm^3
• Vapor Pressure: 1427 mmHg ( 20 °C)
• Vapor Density: 5.93 (vs air)

Safety Information

• RTECS: KI1101000
• European Hazard Symbols: Nature polluting (N)
• UN Number: 1958
• German water hazard class: 1
• Hazard Class: 2.2
• Risk Statements: 59
• Safety Statements: 59
• 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 1958 2.2

Product Information

• Purity: ≥99.5%
• Linear Formula: ClCF2CF2Cl

DETAILS

Sigma Aldrich - 295248

Packaging
100 g in Sure-Pac™
Application
Please view www.aldrich.com/epaods regarding the EPA′s request for application information of Ozone Depleting Substances
Recommended products
Brass hose adapter Z146811 or brass body mini gas regulator Z513539 is recommended.