2-fluorobenzene-1-sulfonyl chloride

• ChemBase ID: 7944
• Molecular Formular: C6H4ClFO2S
• Molecular Mass: 194.6111632
• Monoisotopic Mass: 193.96045627
• SMILES: S(=O)(=O)(c1c(F)cccc1)Cl
• Canonical SMILES: Fc1ccccc1S(=O)(=O)Cl
• InChI: InChI=1S/C6H4ClFO2S/c7-11(9,10)6-4-2-1-3-5(6)8/h1-4H
• InChIKey: ZSZKAQCISWFDCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluorobenzene-1-sulfonyl chloride
• IUPAC Traditional name: 2-fluorobenzenesulfonyl chloride
• Synonyms: 2-fluorobenzene-1-sulfonyl chloride; 2-Fluorobenzenesulfonyl chloride; 2-Fluorobenzenesulfonyl chloride; 2-Fluorobenzenesulphonyl chloride 97%; 2-Fluoro-benzenesulfonyl chloride; 2-氟苯磺酰氯

Database IDs

• CAS Number: 2905-21-7
• MDL Number: MFCD00042285
• Beilstein Number: 2093979
• PubChem SID: 24877907; 160971251
• PubChem CID: 137761

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0622509
• LogD (pH = 7.4): 2.0622509
• Log P: 2.0622509
• Molar Refractivity: 40.4686 cm^3
• Polarizability: 16.211208 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 26°C; 27-30 °C(lit.); 27-32°C
• Boiling Point: 142-146°C/15mm; 143-146°C/15mm; 246-247 °C(lit.); 246-247°C
• Flash Point: >110°C; >110°C(230°F); 110 °C; 230 °F
• Density: 1.47 g/mL at 25 °C(lit.); 1.470
• Refractive Index: 1.537; 1.5370; n20/D 1.537(lit.)
• Hydrophobicity(logP): 0.313

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive/Store under Argon; Moisture Sensitive; MOISTURE SENSITIVE, CORROSIVE
• European Hazard Symbols: Corrosive (C)
• UN Number: 3265; UN3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34
• Safety Statements: 26-27-36/37/39; 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; 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%; 97%; 98%
• Linear Formula: FC6H4SO2Cl

DETAILS

Sigma Aldrich - 532711

Packaging
1, 5 g in glass bottle