ChemicalBook--->CAS DataBase List--->98-60-2

98-60-2

98-60-2 Structure

98-60-2 Structure
IdentificationMore
[Name]

4-Chlorobenzenesulfonyl chloride
[CAS]

98-60-2
[Synonyms]

4-CHLOROBENZENE-1-SULFONYL CHLORIDE
4-CHLOROBENZENESULFONYL CHLORIDE
4-CHLOROBENZENESULPHONYL CHLORIDE
4-CHLOROPHENYLSULFONYL CHLORIDE
CHLOROBENZENESULFONYL CHLORIDE
P-CHLOROBENZENESULFONYL CHLORIDE
4-chloro-benzenesulfonicacichloride
4-chloro-benzenesulfonylchlorid
Benzenesulfonyl chloride, 4-chloro-
Benzenesulfonyl chloride, p-chloro-
Benzenesulfonylchloride,4-chloro-
Chlorid kyseliny p-chlorbensulfonove
chloridkyselinyp-chlorbensulfonove
chloridkyselinyp-chlorbensulfonove(czech)
chlorurede4-chlorobenzenesulfonyle
p-Chlorbenzensulfochlorid
p-chlorbenzensulfochlorid(czech)
p-Chlorobenzenesulfochloride
p-Chlorobenzenesulfonylchlori
p-chloro-benzenesulfonylchlorid
[EINECS(EC#)]

202-685-3
[Molecular Formula]

C6H4Cl2O2S
[MDL Number]

MFCD00007439
[Molecular Weight]

211.07
[MOL File]

98-60-2.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystals, powder or flakes
[Melting point ]

50-52 °C (lit.)
[Boiling point ]

141 °C/15 mmHg (lit.)
[density ]

1.5075 (estimate)
[Fp ]

226 °F
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

soluble in Toluene
[form ]

Liquid
[color ]

Clear
[Water Solubility ]

INSOLUBLE
[Sensitive ]

Moisture Sensitive
[BRN ]

511583
[InChI]

InChI=1S/C6H4Cl2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H
[InChIKey]

ZLYBFBAHAQEEQQ-UHFFFAOYSA-N
[SMILES]

C1(S(Cl)(=O)=O)=CC=C(Cl)C=C1
[CAS DataBase Reference]

98-60-2(CAS DataBase Reference)
[NIST Chemistry Reference]

4-Chlorobenzenesulfonyl chloride(98-60-2)
[EPA Substance Registry System]

98-60-2(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
[Hazard Codes ]

C
[Risk Statements ]

R34:Causes burns.
R37:Irritating to the respiratory system.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 3261 8/PG 2
[WGK Germany ]

2
[RTECS ]

DB8925000
[F ]

21
[Hazard Note ]

Corrosive
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

29049020
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Eye Dam. 1
Skin Corr. 1B
[Hazardous Substances Data]

98-60-2(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Chlorosulfonic acid-->Chlorobenzene-->Sulfanilic acid-->4-Chlorobenzenesulfonic acid sodium salt-->Benzenesulfonothioic acid, 4-chloro-, S-(4-chlorophenyl) ester-->Carbamothioic acid,N-methyl-, S-(4-chlorophenyl) ester-->S-4-Chlorophenylthioacetate-->4,4'-Dichlorodiphenyl disulfide-->4-Chlorobenzenesulfonic acid-->4-Chlorothiophenol
[Preparation Products]

Carbophenothion-->4-Chlorobenzenesulfonamide-->Daltroban-->OVEX-->Sulfenone-->1,2-Bis(4-chlorophenyl)ethane-->4-Chlorophenylsulfonylacetonitrile-->3-Bromo-4'-chlorobenzophenone-->Avagacestat (BMS-708163)-->4-Chloro-3-nitrobenzenesulfonyl chloride-->2-[(4-Chlorophenylsulphonyl)amino]benzyl alcohol
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Chlorobenzenesulfonyl chloride(98-60-2).msds
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystals, powder or flakes
[Uses]

4-Chlorobenzenesulfonyl chloride was used in the synthesis of precursors for the 3,4-pyridyne generation.
[Application]

Used in the manufacture of chlorobenzenesulfinic acid and sulfimides; three-step reaction to the sulfone in a single reactor is possible without intermediate isolation.
[Production Methods]

4-Chlorobenzenesulfonyl chloride is manufactured by mixing 4-chlorobenzene and chlorosulfuric acid at 35 ℃, heating for two hours at 80 ℃, and discharging the contents of the reactor into ice water; yield 81% of theory, together with a small amount of bis(4-chlorophenyl) sulfone.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 7, p. 15, 1942 DOI: 10.1021/jo01195a003
[Purification Methods]

Crystallise it from ether in powdered Dry-Ice, after the solution has been washed with 10% NaOH until colourless and dried (Na2SO4). Distil it in vacuo and store it in the absence of H2O. [Beilstein 11 IV 114.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-Chlorobenzenesulfonyl chloride(98-60-2)MS
4-Chlorobenzenesulfonyl chloride(98-60-2)1HNMR
4-Chlorobenzenesulfonyl chloride(98-60-2)13CNMR
4-Chlorobenzenesulfonyl chloride(98-60-2)IR1
4-Chlorobenzenesulfonyl chloride(98-60-2)IR2
4-Chlorobenzenesulfonyl chloride(98-60-2)IR3
4-Chlorobenzenesulfonyl chloride(98-60-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Chlorobenzenesulfonyl chloride, 97%(98-60-2)
[Alfa Aesar]

4-Chlorobenzenesulfonyl chloride, 97%(98-60-2)
[Sigma Aldrich]

98-60-2(sigmaaldrich)
[TCI AMERICA]

4-Chlorobenzenesulfonyl Chloride,>98.0%(T)(98-60-2)
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