1,2-dibromo-1-chloro-1,2,2-trifluoroethane

• ChemBase ID: 7018
• Molecular Formular: C2Br2ClF3
• Molecular Mass: 276.2776096
• Monoisotopic Mass: 273.80073634
• SMILES: C(C(F)(Br)F)(Cl)(Br)F
• Canonical SMILES: FC(C(Br)(F)F)(Br)Cl
• InChI: InChI=1S/C2Br2ClF3/c3-1(5,6)2(4,7)8
• InChIKey: OVZATIUQXBLIQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dibromo-1-chloro-1,2,2-trifluoroethane
• IUPAC Traditional name: 1,2-dibromo-1-chloro-1,2,2-trifluoroethane
• Synonyms: 1-Chloro-1,2-dibromo-1,2,2-trifluoroethane; 1-Chloro-1,2-dibromo-1,2,2-trifluoroethane 98%; 2-CHLORO-1,2-DIBROMO-1,1,2-TRIFLUOROETHANE

Database IDs

• CAS Number: 354-51-8
• MDL Number: MFCD00039316
• PubChem SID: 160970325
• PubChem CID: 9634

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.002523
• LogD (pH = 7.4): 3.002523
• Log P: 3.002523
• Molar Refractivity: 32.9906 cm^3
• Polarizability: 12.795959 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -72.9°C
• Boiling Point: 93-94°C
• Density: 2.2478; 2.248
• Refractive Index: 1.4275

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 05208801

MP Biomedicals Rare Chemical collection