dichloro(fluoro)(2H)methane

• ChemBase ID: 135323
• Molecular Formular: CHCl2F
• Molecular Mass: 102.9230432
• Monoisotopic Mass: 101.94393361
• SMILES: C(F)(Cl)Cl
• Canonical SMILES: FC(Cl)Cl
• InChI: InChI=1S/CHCl2F/c2-1(3)4/h1H
• InChIKey: UMNKXPULIDJLSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro(fluoro)(^2H)methane
• IUPAC Traditional name: dichloro(fluoro)(^2H)methane
• Synonyms: Freon® 21-d; Dichlorofluoromethane-d; 氟利昂-21®-d; 二氯氟甲烷-d

Database IDs

• MDL Number: MFCD00144107
• PubChem SID: 162229597
• PubChem CID: 12638869

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.618614
• LogD (pH = 7.4): 1.618614
• Log P: 1.618614
• Molar Refractivity: 16.5325 cm^3
• Polarizability: 6.382257 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Nature polluting (N)
• UN Number: 1029
• German water hazard class: 3
• Hazard Class: 2.2
• Risk Statements: 59
• Safety Statements: 59
• GHS Pictograms: GHS04; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H280-H420
• GHS Precautionary statements: P410 + P403
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1029 2.2

Product Information

• Isotopic Purity: 98 atom % D
• Linear Formula: CDFCl2

DETAILS

Sigma Aldrich - 613894

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.
Legal Information
Freon is a registered trademark of E. I. du Pont de Nemours and Company