fluoranesulfonic acid

• ChemBase ID: 97281
• Molecular Formular: FHO3S
• Molecular Mass: 100.0695432
• Monoisotopic Mass: 99.96304311
• SMILES: S(=O)(=O)(O)F
• Canonical SMILES: OS(=O)(=O)F
• InChI: InChI=1S/FHO3S/c1-5(2,3)4/h(H,2,3,4)
• InChIKey: UQSQSQZYBQSBJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: fluoranesulfonic acid
• IUPAC Systematic name: Fluorosulfuric acid
• IUPAC Traditional name: fluorosulfuric acid
• Synonyms: Fluosulfuric acid; Fluorosulfonic acid; Sulphurofluoridic acid; Fluorosulphuric acid 99%; Fluorosulfonic acid; Fluorosulphonic acid; Fluorinesulfonic acid; Fluorinesulphonic acid; Fluoridosulfonic acid; Fluoridosulphonic acid; Sulfuric fluorohydrin; Epoxysulfonyl fluoride; Fluorosulfuric acid; 氟硫酸; 氟磺酸

Database IDs

• CAS Number: 7789-21-1
• EC Number: 232-149-4
• MDL Number: MFCD00066174
• PubChem SID: 162083892; 24871074; 24854177
• PubChem CID: 24603
• Chemspider ID: 23005
• MeSH Name: Fluorosulfonic+acid
• Wikipedia Title: Fluorosulfuric_acid

CALCULATED PROPERTIES

• Acid pKa: -3.9506495
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.7401438
• LogD (pH = 7.4): -2.7401438
• Log P: -0.36374497
• Molar Refractivity: 12.7075 cm^3
• Polarizability: 5.720902 Å^3
• Polar Surface Area: 54.37 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colorless liquid
• Melting Point: -87.3 °C(lit.); -87.3°C; -87.45°C (185.7K)
• Boiling Point: 165°C; 165.35°C (438.5K); 165.5 °C(lit.)
• Density: 1.726; 1.726 g/mL at 25 °C(lit.); 1.84 g cm^-3
• Vapor Pressure: 2.5 mmHg ( 25 °C)
• Vapor Density: 3.5 (vs air)
• pKa: -10
• pKb: 24

Safety Information

• Storage Warning: Corrosive/Harmful/Store under Argon/Keep Cold
• RTECS: LP0715000
• European Hazard Symbols: Corrosive (C); Harmful (Xn)
• UN Number: 1777
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 1
• Risk Statements: 20-35; R20, R35
• Safety Statements: 26-45; S1/2, S26, S45
• EU Index: 016-018-00-7
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H332
• 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 1777 8/PG 1
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (T)
• Grade: purum
• Purified By: triple-distillation
• Linear Formula: FSO3H

DETAILS

Apollo Scientific Ltd - PC4265

In TeflonR bottle

Sigma Aldrich - 236535

Packaging
25, 100 mL in PFA/FEP bottle