1,1,1,2-tetrachloro-2,2-difluoroethane

• ChemBase ID: 112317
• Molecular Formular: C2Cl4F2
• Molecular Mass: 203.8302064
• Monoisotopic Mass: 201.87221716
• SMILES: FC(F)(Cl)C(Cl)(Cl)Cl
• Canonical SMILES: ClC(C(Cl)(F)F)(Cl)Cl
• InChI: InChI=1S/C2Cl4F2/c3-1(4,5)2(6,7)8
• InChIKey: SLGOCMATMKJJCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2-tetrachloro-2,2-difluoroethane
• IUPAC Traditional name: 1,1,1,2-tetrachloro-2,2-difluoroethane
• Synonyms: 1,1-DIFLUORO-1,2,2,2,TETRACHLOROETHANE; CFC-112a; 2,2-Difluorotetrachloroethane; 2,2-二氟四氯乙烷

Database IDs

• CAS Number: 76-11-9
• EC Number: 200-934-0
• MDL Number: MFCD00000798
• PubChem SID: 162098228
• PubChem CID: 6426

CALCULATED PROPERTIES

• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9084637
• LogD (pH = 7.4): 2.9084637
• Log P: 2.9084637
• Molar Refractivity: 32.2084 cm^3
• Polarizability: 12.140934 Å^3

PROPERTIES

Safety Information

• RTECS: KI1425000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C2Cl4F2

DETAILS

MP Biomedicals - 05223488

MP Biomedicals Rare Chemical collection