2,3-dibromo-1,1,3,3-tetrafluoroprop-1-ene

• ChemBase ID: 94761
• Molecular Formular: C3Br2F4
• Molecular Mass: 271.8337128
• Monoisotopic Mass: 269.83028688
• SMILES: FC(Br)(F)C(=C(F)F)Br
• Canonical SMILES: FC(=C(C(Br)(F)F)Br)F
• InChI: InChI=1S/C3Br2F4/c4-1(2(6)7)3(5,8)9
• InChIKey: HFEIAWIQHJLHCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dibromo-1,1,3,3-tetrafluoroprop-1-ene
• IUPAC Traditional name: 2,3-dibromo-1,1,3,3-tetrafluoroprop-1-ene
• Synonyms: 2,3-Dibromo-1,1,3,3-tetrafluoroprop-1-ene 97%; 2,3-Dibromo-1,1,3,3-tetrafluoropropene; 2,3-二溴-1,1,3,3-四氟丙烯

Database IDs

• CAS Number: 666-40-0
• MDL Number: MFCD00236663
• PubChem SID: 162081415
• PubChem CID: 2736793

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7955513
• LogD (pH = 7.4): 2.7955513
• Log P: 2.7955513
• Molar Refractivity: 42.8889 cm^3
• Polarizability: 12.331199 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 2.20

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 23-26-37-60
• TSCA Listed: 是
• 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%

DETAILS

Apollo Scientific Ltd - PC2322G

Precursor to tetrafluoroallene.