hexadecafluorodecanedinitrile

• ChemBase ID: 9735
• Molecular Formular: C10F16N2
• Molecular Mass: 452.0948512
• Monoisotopic Mass: 451.98059953
• SMILES: C(#N)C(C(C(C(C(C(C(C(C#N)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: N#CC(C(C(C(C(C(C(C(C#N)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10F16N2/c11-3(12,1-27)5(15,16)7(19,20)9(23,24)10(25,26)8(21,22)6(17,18)4(13,14)2-28
• InChIKey: BQBPZGPUHIVSAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexadecafluorodecanedinitrile
• IUPAC Traditional name: hexadecafluorodecanedinitrile
• Synonyms: Hexadecafluorodecane-1,10-dinitrile; Hexadecafluorooctane-1,10-dicarbonitrile; Perfluorosebaconitrile 97%; Perfluorosebaconitrile

Database IDs

• CAS Number: 2342-09-8
• MDL Number: MFCD00042366
• PubChem SID: 160973042
• PubChem CID: 2776365

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.457288
• LogD (pH = 7.4): 5.457288
• Log P: 5.457288
• Molar Refractivity: 49.7412 cm^3
• Polarizability: 19.202787 Å^3
• Polar Surface Area: 47.58 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 147-148°C
• Flash Point: none°C
• Density: 1.673
• Refractive Index: 1.3039

Safety Information

• Storage Warning: IRRITANT-HARMFUL; Toxic/Harmful
• TSCA Listed: false

Product Information

• Purity: 97%