1,6-dibromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane

• ChemBase ID: 8722
• Molecular Formular: C6Br2F12
• Molecular Mass: 459.8530384
• Monoisotopic Mass: 457.81751264
• SMILES: BrC(C(C(C(C(C(Br)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(Br)(F)F)(F)F)(C(C(C(Br)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C6Br2F12/c7-5(17,18)3(13,14)1(9,10)2(11,12)4(15,16)6(8,19)20
• InChIKey: SWAPKQWKFYIOJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,6-dibromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
• IUPAC Traditional name: 1,6-dibromododecafluorohexane
• Synonyms: 1,6-Dibromododecafluorohexane; 1,6-Dibromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane; Perfluoro(1,6-dibromohexane) 96%; 1,6-Dibromodecafluorohexane; Perfluoro-1,6-dibromohexane; 1,6-Dibromoperfluorohexane; 1,6-二溴全氟己烷

Database IDs

• CAS Number: 918-22-9
• MDL Number: MFCD00153110
• Beilstein Number: 1822184
• PubChem SID: 160972029
• PubChem CID: 522992

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.5984073
• LogD (pH = 7.4): 5.5984073
• Log P: 5.5984073
• Molar Refractivity: 46.8278 cm^3
• Polarizability: 18.620562 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 141-142°C; 142°C
• Refractive Index: 1.3450

Safety Information

• Storage Warning: Irritant
• 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: 96%