dibromo(chloro)fluoromethane

• ChemBase ID: 138063
• Molecular Formular: CBr2ClF
• Molecular Mass: 226.2701032
• Monoisotopic Mass: 223.8039299
• SMILES: C(F)(Cl)(Br)Br
• Canonical SMILES: FC(Br)(Br)Cl
• InChI: InChI=1S/CBr2ClF/c2-1(3,4)5
• InChIKey: HEDKQVNHJZBFQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dibromo(chloro)fluoromethane
• IUPAC Traditional name: dibromochlorofluoromethane
• Synonyms: Chlorodibromofluoromethane; 氯二溴氟甲烷

Database IDs

• CAS Number: 353-55-9
• MDL Number: MFCD00010606
• PubChem SID: 162232322
• PubChem CID: 67708

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0091186
• LogD (pH = 7.4): 3.0091186
• Log P: 3.0091186
• Molar Refractivity: 2.3038 cm^3
• Polarizability: 10.914007 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 79-80 °C(lit.)
• Density: 2.317 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4772(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22
• Safety Statements: 27-36/37/39-45
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332
• GHS Precautionary statements: P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 90%
• Grade: technical grade
• Linear Formula: ClCBr2F