Bis(4-chlorophenyl)sulphone

• CAS: 80-07-9
• Catalog Number: ACM80079
• Category: Other Products
• Molecular Weight: 287.2g/mol
• Molecular Formula: C12H8Cl2O2S
• Description: Crystals or off-white powder. (NTP, 1992);DryPowder; PelletsLargeCrystals
• Synonyms: 1,1'-sulfonylbis(4-chloro-benzen;1,1'-sulfonylbis(4-chlorobenzene);1,1'-sulfonylbis[4-chloro-benzen;1,1'-sulfonylbis[4-chloro-Benzene;1,1'-sulfonylbis[4-chloro-benzene];1-Chloro-4-[(4-chlorophenyl)sulfonyl]benzene;4,4'-Dichlorophenyl sulfone;Benzene, 1,1
• IUPAC Name: 1-chloro-4-(4-chlorophenyl)sulfonylbenzene
• Canonical SMILES: C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)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
• InChI Key: GPAPPPVRLPGFEQ-UHFFFAOYSA-N
• Boiling Point: Sublimes (NTP, 1992);250 °C at 10 mm Hg
• Melting Point: 293 to 298 °F (NTP, 1992);147.9 °C;147.9 °C
• Density: 1.54g/cm³
• Solubility: less than 1 mg/mL at 68° F (NTP, 1992);Soluble in ethanol and chloroform.;Slightly soluble in water
• Appearance: Crystals or off-white powder.
• Color/Form: Crystals;White crystalline needles (crystalline grade); off-white crystalline needles (polymer grade)
• Complexity: 306
• Covalently-Bonded Unit Count: 1
• Decomposition: When heated to decomposition it emits very toxic fumes of / hydrogen chloride and sulfur oxides/.
• EC Number: 201-247-9
• Exact Mass: 285.962206g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 17
• LogP: log Kow = 3.9 /Estimated/
• Monoisotopic Mass: 285.962206g/mol
• NSC Number: 50730;38759;23899;7207
• Other Experimental: Henry's Law constant = 1.4X10-7 atm-cu m/mole at 25 °C /Estimated/;Hydroxyl radical reaction rate constant = 5.9X10-13 cu cm/molec-sec at 25 °C /Estimated/
• Physical Description: 4,4'-Dichlorodiphenyl sulphone 97% (250g)
• Rotatable Bond Count: 2
• UNII: 5U49794253
• Vapor Pressure: 8.1X10-7mm Hg at 25 °C /Estimated/
• XLogP3: 3.9