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Home > Encyclopedia > 3-(METHYLSULFONYL)BENZENESULFONYLCHLORIDE

3-(METHYLSULFONYL)BENZENESULFONYLCHLORIDE

3-(METHYLSULFONYL)BENZENESULFONYLCHLORIDE structure

3-(METHYLSULFONYL)BENZENESULFONYLCHLORIDE 

structure
  • CAS No:

    5335-40-0

  • Formula:

    C7H7ClO4S2

  • Chemical Name:

    3-(METHYLSULFONYL)BENZENESULFONYLCHLORIDE

  • Synonyms:

    3-(METHYLSULFONYL)BENZENESULFONYL CHLORIDE;3-methylsulfonylbenzenesulfonyl chloride;3-(methylsulphonyl)benzenesulphonyl chloride;Benzenesulfonyl chloride, 3-(methylsulfonyl)-;3-(methylsulfonyl)benzenesulfonylchloride;2-Benzoxazoleethanol, a-[3-(trifluoromethyl)phenyl]-;NSC2940;PubChem5610;3-(methylsulfonyl)benzene-1-sulfonyl chloride;SCHEMBL364561

3-(METHYLSULFONYL)BENZENESULFONYLCHLORIDE Basic Attributes

254.71

253.94700

2940

DTXSID20277575

2904909090

Characteristics

85

1.6

1.517g/cm3

93~96℃

449.7°C at 760 mmHg

225.8ºC

Safety Information

P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

H314

|Danger|H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-(METHYLSULFONYL)BENZENESULFONYLCHLORIDE Use and Manufacturing

3-Methanesulfonylbenzene-1-sulfonyl chloride Methylsulfonylbenzene (5 g, 32 mmol) was placed into chlorosulfonic acid (37 g, 320 mmol), heated at 90 °Cfor 18 h, and cooled to room temperature. The mixture was slowly poured into crushed ice. The resulting suspensionwas extracted with ethyl acetate (2 3 200 mL). The organic layers were separated, combined, washed with saturatedaqueous NaCl solution (50 mL), and dried with sodium sulfate. After suction filtration, the resulting filtrate was distilledunder reduced pressure. The residue was the intermediate 3-methylsulfonylphenyl-1-sulfonyl chloride (50 mg, yield6.1percent).

Computed Properties

Molecular Weight:254.7
XLogP3:1.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:253.9474287
Monoisotopic Mass:253.9474287
Topological Polar Surface Area:85
Heavy Atom Count:14
Complexity:386
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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