ChemicalBook--->CAS DataBase List--->80-00-2

80-00-2

80-00-2 Structure

80-00-2 Structure
IdentificationMore
[Name]

Sulfenone
[CAS]

80-00-2
[Synonyms]

1-CHLORO-4-(PHENYLSULFONYL)BENZENE
4-CHLORODIPHENYL SULFONE
4-CHLOROPHENYL PHENYL SULFONE
LABOTEST-BB LT00159657
P-CHLOROPHENYL PHENYL SULFONE
Sulfenone
SULFERONE
SULPHENONE
1-chloro-4-(phenylsulfonyl)-benzen
1-chloro-4-(phenylsulfonyl)benzene[qr]
4-chlordifenylsulfon
4-chlorodiphenylsulphone
4-chlorodiphenylsulphone[qr]
compoundr-242
compoundr-242[qr]
ent17,941
ent17,941[qr]
p-chlorophenyl
p-chlorophenylphenylsulphone
p-chlorophenylphenylsulphone[qr]
[EINECS(EC#)]

201-242-1
[Molecular Formula]

C12H9ClO2S
[MDL Number]

MFCD00007549
[Molecular Weight]

252.72
[MOL File]

80-00-2.mol
Chemical PropertiesBack Directory
[Appearance]

solid
[Melting point ]

90-94 °C(lit.)
[Boiling point ]

389 °C / 719mmHg
[density ]

1.3319 (estimate)
[storage temp. ]

-20°C Freezer, Under inert atmosphere
[solubility ]

acetone: soluble74.4 g/100ml at 20°C(lit.)
[form ]

Solid
[color ]

White to Off-White
[Stability:]

Stable. Incompatible with strong oxidizing agents.
[Merck ]

14,8988
[InChI]

1S/C12H9ClO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H
[InChIKey]

OFCFYWOKHPOXKF-UHFFFAOYSA-N
[SMILES]

Clc1ccc(cc1)S(=O)(=O)c2ccccc2
[CAS DataBase Reference]

80-00-2(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, 1-chloro-4-(phenylsulfonyl)-(80-00-2)
[EPA Substance Registry System]

80-00-2(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

WR5775000
[TSCA ]

Yes
[HS Code ]

2930909899
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
[Hazardous Substances Data]

80-00-2(Hazardous Substances Data)
[Toxicity]

LD50 orally in mice: 2.7 g/kg (Hazleton)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Chlorosulfonic acid-->4-Chlorobenzenesulfonyl chloride-->Benzene, 1-chloro-2-(phenylsulfonyl)--->2-Chlorophenyl 4-chlorophenyl sulfone-->Benzene, 1-chloro-3-[(4-chlorophenyl)sulfonyl]--->Benzenesulfonic acid,4-chloro-, hydrazide-->4,4'-Dichlorodiphenyl sulfone-->N-Fluorobenzenesulfonimide-->Benzenesulfinic acid-->Sodium 4-chlorobenzene sulfinate-->4-Chloro diphenyl sulfide-->Diphenyliodonium trifluoromethanesulfonate-->Phenylboronic acid-->Iodobenzene-->4-Chlorophenylboronic acid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Chloro-4-(phenylsulfonyl)benzene(80-00-2).msds
Hazard InformationBack Directory
[Chemical Properties]

Sulfenone is White solid. Insoluble inwater; soluble in hexane, xylene, carbon tetrachloride, and acetone.
[Uses]

4-Chlorophenyl Phenyl Sulfone is an impurity of Dapson (D193250), an antibacterial used in the treatment of dermatitis herpetiformis.
[Uses]

Acaricide.
[Uses]

Sulfenone  is an impurity of Dapson (D193250), an antibacterial used in the treatment of dermatitis herpetiformis.
[General Description]

4-Chlorophenyl phenyl sulfone is also referred to as sulphenone. It participates in palladium-catalyzed amidation reaction in the presence of low CO pressures and an iodide salt.
Spectrum DetailBack Directory
[Spectrum Detail]

Sulfenone(80-00-2)MS
Sulfenone(80-00-2)1HNMR
Sulfenone(80-00-2)13CNMR
Sulfenone(80-00-2)IR1
Sulfenone(80-00-2)IR2
Sulfenone(80-00-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-Chlorodiphenyl sulfone, 97%(80-00-2)
[Sigma Aldrich]

80-00-2(sigmaaldrich)
[TCI AMERICA]

4-Chlorophenyl Phenyl Sulfone,>96.0%(GC)(80-00-2)
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