1-bromo-1,1,2,2-tetrafluoro-2-iodoethane

• ChemBase ID: 6939
• Molecular Formular: C2BrF4I
• Molecular Mass: 306.8234828
• Monoisotopic Mass: 305.81642288
• SMILES: C(C(F)(F)I)(F)(F)Br
• Canonical SMILES: FC(C(Br)(F)F)(I)F
• InChI: InChI=1S/C2BrF4I/c3-1(4,5)2(6,7)8
• InChIKey: ZYNPYKGTNSXKPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-1,1,2,2-tetrafluoro-2-iodoethane
• IUPAC Traditional name: 1-bromo-1,1,2,2-tetrafluoro-2-iodoethane
• Synonyms: 1-Bromo-2-iodotetrafluoroethane; 1-Bromo-2-iodotetrafluoroethane; 1-溴-2-碘四氟乙烷

Database IDs

• CAS Number: 421-70-5
• EC Number: 207-008-5
• MDL Number: MFCD00042136
• Beilstein Number: 1688466
• PubChem SID: 160970246
• PubChem CID: 67902

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3876
• LogD (pH = 7.4): 2.3876
• Log P: 2.3876
• Molar Refractivity: 33.4872 cm^3
• Polarizability: 13.284044 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 78°C; 78°C
• Density: 1.648
• Refractive Index: 1.4330

Safety Information

• Storage Warning: Light Sensitive; TOXIC
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%; 97%, stab. with copper