(benzenesulfonyl)benzene

• ChemBase ID: 78050
• Molecular Formular: C12H10O2S
• Molecular Mass: 218.2716
• Monoisotopic Mass: 218.04015056
• SMILES: S(=O)(=O)(c1ccccc1)c1ccccc1
• Canonical SMILES: O=S(=O)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
• InChIKey: KZTYYGOKRVBIMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (benzenesulfonyl)benzene
• IUPAC Traditional name: diphenyl sulfone
• Synonyms: Diphenyl sulphone; Phenyl sulfone; Diphenyl sulfone; Sulfonyldibenzene; 1,1'-Sulphonyldibenzene; Diphenyl sulphone; DIPHENYL SULFONE; 苯基砜; 二苯砜; 二苯基砜

Database IDs

• CAS Number: 127-63-9
• EC Number: 204-853-1
• MDL Number: MFCD00007548
• Beilstein Number: 1910573
• Merck Index: 143238
• PubChem SID: 162042884; 24868937; 24867132; 24898425
• PubChem CID: 31386
• Chemspider ID: 29117
• Wikipedia Title: Diphenyl_sulfone

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9280806
• LogD (pH = 7.4): 2.9280806
• Log P: 2.9280806
• Molar Refractivity: 59.5902 cm^3
• Polarizability: 24.389103 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 123°C; 123-129 °C; 123-129 °C(lit.); 123-129°C; 123-130°C; 123-130°C
• Boiling Point: 377-379°C; 377-3798°C; 379 °C(lit.); 379°C
• Flash Point: 184°C; 184°C(363°F)
• Density: 1.36

Safety Information

• Storage Warning: Harmful/Irritant
• RTECS: SX2400000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280F-P405-P403+P233
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: ≥95% (S); 95+%; 97%; 99+%
• Grade: PESTANAL®, analytical standard; technical
• Linear Formula: (C6H5)2SO2

DETAILS

MP Biomedicals - 05204393

MP Biomedicals Rare Chemical collection

Sigma Aldrich - P35359

Packaging
100 g in poly bottle

Sigma Aldrich - 45458

Legal Information
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