heptadecafluorooctane-1-sulfonyl fluoride

• ChemBase ID: 120484
• Molecular Formular: C8F18O2S
• Molecular Mass: 502.1206576
• Monoisotopic Mass: 501.9331582
• SMILES: C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)F)(F)F
• Canonical SMILES: FC(C(C(C(C(S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C8F18O2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28
• InChIKey: BHFJBHMTEDLICO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: heptadecafluorooctane-1-sulfonyl fluoride
• IUPAC Traditional name: heptadecafluorooctane-1-sulfonyl fluoride
• Synonyms: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl fluoride; Heptadecafluorooctanesulfonyl fluoride; Perfluoro-1-octanesulfonyl fluoride; Perfluorooctanesulfonyl fluoride; 全氟辛基磺酰氟; 全氟-1-辛烷磺酰氟

Database IDs

• CAS Number: 307-35-7
• EC Number: 206-200-6
• MDL Number: MFCD00012016
• Beilstein Number: 1718067
• PubChem SID: 162214837; 24859183
• PubChem CID: 9388
• Wikipedia Title: Perfluorooctanesulfonyl_fluoride

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.9076347
• LogD (pH = 7.4): 5.9076347
• Log P: 5.9076347
• Molar Refractivity: 49.9156 cm^3
• Polarizability: 20.465876 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 154 °C; 154-155 °C(lit.)
• Density: 1.824 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.301(lit.)
• Vapor Pressure: <10 mmHg ( 20 °C)
• Vapor Density: >1 (vs air)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45; R
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2

Product Information

• Purity: 95% (sum of isomers)
• Linear Formula: CF3(CF2)7SO2F

DETAILS

Sigma Aldrich - 319724

Packaging
25 g in poly bottle