heptadecafluorooctane-1-sulfonyl chloride

• ChemBase ID: 100454
• Molecular Formular: C8ClF17O2S
• Molecular Mass: 518.5752544
• Monoisotopic Mass: 517.90360766
• SMILES: S(=O)(=O)(Cl)C(C(C(C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(S(=O)(=O)Cl)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C8ClF17O2S/c9-29(27,28)8(25,26)6(20,21)4(16,17)2(12,13)1(10,11)3(14,15)5(18,19)7(22,23)24
• InChIKey: FJHZKRYJOILIGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: heptadecafluorooctane-1-sulfonyl chloride
• IUPAC Traditional name: heptadecafluorooctane-1-sulfonyl chloride
• Synonyms: Perfluorooctanesulphonyl chloride; Perfluoro-1-octanesulfonyl chloride; Heptadecafluoro-1-octanesulfonyl chloride; 全氟-1-辛烷磺酰氯; 全氟辛烷磺酰氯

Database IDs

• CAS Number: 423-60-9
• MDL Number: MFCD03412272
• PubChem SID: 24865275; 162086544
• PubChem CID: 324956

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.1952243
• LogD (pH = 7.4): 6.1952243
• Log P: 6.1952243
• Molar Refractivity: 54.5506 cm^3
• Polarizability: 22.25808 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive/Store under Argon
• 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
• 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: ≥90% (T)
• Grade: technical
• Empirical Formula (Hill Notation): C8ClF17O2S

DETAILS

Sigma Aldrich - 40486

Packaging
1 g in glass bottle