methanesulfonyl fluoride

• ChemBase ID: 98066
• Molecular Formular: CH3FO2S
• Molecular Mass: 98.0967232
• Monoisotopic Mass: 97.98377856
• SMILES: S(=O)(=O)(F)C
• Canonical SMILES: CS(=O)(=O)F
• InChI: InChI=1S/CH3FO2S/c1-5(2,3)4/h1H3
• InChIKey: KNWQLFOXPQZGPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methanesulfonyl fluoride
• IUPAC Traditional name: fluoromethyl sulfone
• Synonyms: Methanesulphonyl fluoride 98%; Fumette; Mesyl fluoride; Methanesulfonyl fluoride; Methanesulfonyl fluoride; 甲基磺酰氟

Database IDs

• CAS Number: 558-25-8; EINECS558-25-8
• EC Number: 209-192-2
• MDL Number: MFCD00007423
• PubChem SID: 24850783; 162084532
• PubChem CID: 11207
• Chemspider ID: 10734
• MeSH Name: methanesulfonyl+fluoride
• Wikipedia Title: Methanesulfonyl_fluoride

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.4825665
• LogD (pH = 7.4): -0.4825665
• Log P: -0.4825665
• Molar Refractivity: 15.4682 cm^3
• Polarizability: 6.8109527 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Reacts in water
• Apperance: liquid
• Boiling Point: 123-124 °C(lit.); 123-124°C; 123-124°C; 124 °C
• Flash Point: none°C
• Density: 1.427; 1.427 g/mL at 25 °C(lit.)
• Refractive Index: 1.360
• Hydrophobicity(logP): 0.056
• Odor: pungent

Safety Information

• Storage Warning: Toxic/Hygroscopic/Store under inert gas
• RTECS: PB2975000
• European Hazard Symbols: Highly toxic (T+)
• UN Number: 3389; UN3389
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1; I
• Risk Statements: 23-28-34; 26/28-34; R26/28 R34
• Safety Statements: 23-26-36/37/39-45; 9-26-28-36/37/39-45-60; S9 S26 S28 S36/37/39 S45 S60
• TSCA Listed: 是
• GHS Pictograms: GHS corrosion; GHS05; GHS06
• GHS Signal Word: Danger
• Main Hazard: Corrosive ; Highly toxic
• GHS Hazard statements: 300, 330, 314, 318; H300-H314-H330; H300-H330-H314-H318
• GHS Precautionary statements: 301+310, 303+361+353, 304+340, 305+351+338, 320, 330, 405, 501; P260-P264-P280-P284-P305 + P351 + P338-P310; P260-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P405-P501A
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3389 6.1/PG 1

Product Information

• Purity: 95%; 98%
• Linear Formula: CH3SO2F

DETAILS

Sigma Aldrich - 178950

Packaging
25, 50 g in ampule