1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane

• ChemBase ID: 9478
• Molecular Formular: C9BrF19
• Molecular Mass: 548.9699608
• Monoisotopic Mass: 547.88799818
• SMILES: FC(C(C(C(C(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(C(C(C(Br)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C9BrF19/c10-8(25,26)6(21,22)4(17,18)2(13,14)1(11,12)3(15,16)5(19,20)7(23,24)9(27,28)29
• InChIKey: OWIAIPIQXHPUHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane
• IUPAC Traditional name: 1-bromoperfluorononane
• Synonyms: 1-Bromoperfluorononane; 1-Bromoperfluorononane; Perfluorononyl bromide 98%; Bromononadecafluorononane; Perfluorononyl bromide; 1-Bromoperfluorononane; 1-溴全氟壬烷

Database IDs

• CAS Number: 558-96-3
• MDL Number: MFCD00153257
• PubChem SID: 160972785
• PubChem CID: 2776260

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.343276
• LogD (pH = 7.4): 7.343276
• Log P: 7.343276
• Molar Refractivity: 53.1885 cm^3
• Polarizability: 21.27878 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 27-30°C; 30°C
• Boiling Point: 159°C; 159°C; 95-96°C/20mm
• Flash Point: None
• Density: 1.900

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: P280G-P305+P351+P338

Product Information

• Purity: 98%