1,2-dibromo-1,1,2-trifluoro-2-iodoethane

• ChemBase ID: 8692
• Molecular Formular: C2Br2F3I
• Molecular Mass: 367.7290796
• Monoisotopic Mass: 365.73635666
• SMILES: C(C(I)(F)Br)(F)(F)Br
• Canonical SMILES: FC(C(Br)(F)F)(I)Br
• InChI: InChI=1S/C2Br2F3I/c3-1(5,6)2(4,7)8
• InChIKey: YUBJHLYGOOZDRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dibromo-1,1,2-trifluoro-2-iodoethane; 1,2-dibromo-1,2,2-trifluoro-1-iodoethane
• IUPAC Traditional name: 1,2-dibromo-1,1,2-trifluoro-2-iodoethane; 1,2-dibromo-1,2,2-trifluoro-1-iodoethane
• Synonyms: 1,2-Dibromo-1-iodotrifluoroethane; 1,2-Dibromo-1-iodotrifluoroethane 97%; 1,2-Dibromo-1-iodotrifluoroethane; 1,2-二溴-1-碘三氟乙烷

Database IDs

• CAS Number: 216394-01-3
• MDL Number: MFCD00042521
• PubChem SID: 160971999
• PubChem CID: 2736780

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6083
• LogD (pH = 7.4): 2.6083
• Log P: 2.6083
• Molar Refractivity: 41.2223 cm^3
• Polarizability: 16.416199 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 63-65°C/32mm; 63-65°C/32mm; 65°C/32mm
• Density: 1.515

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: X
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• TSCA Listed: false; 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H311-H332-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%