benzenesulfonyl fluoride

• ChemBase ID: 94063
• Molecular Formular: C6H5FO2S
• Molecular Mass: 160.1661032
• Monoisotopic Mass: 159.99942862
• SMILES: S(=O)(=O)(c1ccccc1)F
• Canonical SMILES: FS(=O)(=O)c1ccccc1
• InChI: InChI=1S/C6H5FO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H
• InChIKey: IDIPWEYIBKUDNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzenesulfonyl fluoride
• IUPAC Traditional name: benzenesulfonyl fluoride
• Synonyms: Benzenesulfonyl fluoride; Benzenesulphonyl fluoride 99%; 苯磺酰氟; 苯磺酰 氟化物

Database IDs

• CAS Number: 368-43-4
• EC Number: 206-707-2
• MDL Number: MFCD00007412
• Beilstein Number: 2206835
• PubChem SID: 24857040; 162080718
• PubChem CID: 67779

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6319596
• LogD (pH = 7.4): 1.6319596
• Log P: 1.6319596
• Molar Refractivity: 35.6172 cm^3
• Polarizability: 14.26717 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 203-204°C; 203-204°C; 207-208 °C(lit.)
• Flash Point: 188.6 °F; 87 °C; 87°C; 87°C(188°F)
• Density: 1.333; 1.333 g/mL at 25 °C(lit.); 1.334
• Refractive Index: 1.492; 1.4920; n20/D 1.492(lit.)

Safety Information

• Storage Warning: Corrosive/Harmful/Moisture Sensitive/Store under Argon; Moisture Sensitive
• RTECS: DB8940000
• European Hazard Symbols: Corrosive (C); X
• UN Number: 3265; UN2922
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 20/21/22-34
• Safety Statements: 26-27-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H331-H314-H318-H227; H302-H312-H314-H331
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A; P261-P280-P305 + P351 + P338-P310
• RID/ADR: UN 3265 8/PG 2

Product Information

• Purity: 98%; 99%
• Linear Formula: C6H5SO2F

DETAILS

Sigma Aldrich - 282332

Packaging
5 g in glass bottle