1-chloro-4-(4-chlorobenzenesulfonyl)benzene

• ChemBase ID: 78351
• Molecular Formular: C12H8Cl2O2S
• Molecular Mass: 287.16172
• Monoisotopic Mass: 285.96220586
• SMILES: S(=O)(=O)(c1ccc(cc1)Cl)c1ccc(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl
• InChI: InChI=1S/C12H8Cl2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H
• InChIKey: GPAPPPVRLPGFEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-4-(4-chlorobenzenesulfonyl)benzene
• IUPAC Traditional name: 4,4'-dichlorodiphenyl sulfone; 1-chloro-4-(4-chlorobenzenesulfonyl)benzene
• Synonyms: bis(4-chlorophenyl) sulfone; bis(p-chlorophenyl) sulfone; 4,4'-Dichlorodiphenylsulfone; DCDPS; 4,4'-Dichlorodiphenyl sulfone; 4,4′-Dichlorodiphenyl sulfone; Bis(4-chlorophenyl) sulfone; 4-Chlorophenyl sulfone; 1-chloro-4-[(4-chlorobenzene)sulfonyl]benzene; BIS(P-CHLOROPHENYL)SULFONE; Bis(4-chlorophenyl) sulphone, 1,1'-Sulphonylbis(4-chlorobenzene); 4,4'-Dichlorodiphenyl sulphone 99%; 4,4′-二氯二苯砜; 双(4-氯苯基)砜; 4,4'-二氯二苯砜

Database IDs

• CAS Number: 80-07-9
• EC Number: 201-247-9
• MDL Number: MFCD00000619
• Beilstein Number: 2052955
• PubChem SID: 24849123; 162043120; 24861958
• PubChem CID: 6625
• Chemspider ID: 6373
• Wikipedia Title: 4,4'-Dichlorodiphenyl_sulfone

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.13617
• LogD (pH = 7.4): 4.13617
• Log P: 4.13617
• Molar Refractivity: 69.1998 cm^3
• Polarizability: 28.155973 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Insoluble in water
• Apperance: White solid
• Melting Point: 143°C; 143-146 °C; 143-146 °C(lit.); 143-150°C; 147-150°C
• Boiling Point: 249-251°C/10mm; 249-251°C/10mm; 250 °C/10 mmHg(lit.); 250°C
• Flash Point: 233°C; 233°C(451°F)
• Hydrophobicity(logP): 4.026

Safety Information

• Storage Warning: Irritant
• RTECS: WR3450000
• German water hazard class: 2
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥90% (AT); 95%; 98%; 99%
• Grade: technical
• Linear Formula: (ClC6H4)2SO2

DETAILS

MP Biomedicals - 05215302

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 151378

Packaging
100, 500 g in poly bottle