1694-92-4

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1694-92-4 Structure

Identification	More
[Name] 2-Nitrobenzenesulfonyl chloride
[CAS] 1694-92-4
[Synonyms] 2-NITROBENZENESULFONYL CHLORIDE 2-NITROBENZENESULPHONYL CHLORIDE O-NITROBENZENESULFONYL CHLORIDE 2-Nitrobenaenesulfonylchloride 2-nitro-benzenesulfonylchlorid Benzenesulfonylchloride,2-nitro- 1-(Chlorosulfonyl)-2-nitrobenzene 2-Nitro-benzenesulfonyl 2-Nitrobenzenesulphonyl chloride 97% 2-Nitrophenylsulfonyl chloride 2-NITROBENZENESULFONYL CHLORIDE 95+% O-NITROBENZENE SUFONYL CHLORIDE o-Nitrophenylsulfonyl chloride 2-Nitrobenzenesulfonic acid chloride 6-Nitrobenzenesulfonic acid chloride
[EINECS(EC#)] 216-907-1
[Molecular Formula] C6H4ClNO4S
[MDL Number] MFCD00007430
[Molecular Weight] 221.62
[MOL File] 1694-92-4.mol

Chemical Properties	Back Directory
[Appearance] Off-white tot yellow crystalline powder
[Melting point ] 63-67 °C(lit.)
[Boiling point ] 350.6±25.0 °C(Predicted)
[density ] 1.606±0.06 g/cm3(Predicted)
[storage temp. ] Store below +30°C.
[form ] powder to crystal
[color ] White to Yellow to Orange
[Water Solubility ] Soluble in toluene, tetrahydrofuran, methylene chloride, ethyl acetate and dimethylformamide. Insoluble in water.
[Sensitive ] Moisture Sensitive
[BRN ] 521155
[InChI] InChI=1S/C6H4ClNO4S/c7-13(11,12)6-4-2-1-3-5(6)8(9)10/h1-4H
[InChIKey] WPHUUIODWRNJLO-UHFFFAOYSA-N
[SMILES] C1(S(Cl)(=O)=O)=CC=CC=C1[N+]([O-])=O
[CAS DataBase Reference] 1694-92-4(CAS DataBase Reference)
[EPA Substance Registry System] 1694-92-4(EPA Substance)

Safety Data	Back Directory
[Hazard Codes ] C
[Risk Statements ] R34:Causes burns.
[Safety Statements ] S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . 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 ] 3
[F ] 21
[Hazard Note ] Corrosive/Moisture Sensitive
[TSCA ] Yes
[HazardClass ] 8
[PackingGroup ] II
[HS Code ] 29049090

Raw materials And Preparation Products	Back Directory
[Raw materials] Nitric acid-->Bis(2-nitrophenyl) disulfide-->Benzenediazonium, 2-nitro-, chloride (1:1)-->2-NITROTHIOANISOLE-->1-(BENZYLSULFANYL)-2-NITROBENZENE-->2-Nitrobenzenesulfenyl chloride-->2-nitrobenzenediazonium tetrafluoroborate
[Preparation Products] 1-[(2-NITROPHENYL)SULFONYL]-1H-PYRROLE-2-CARBALDEHYDE-->2-NITROBENZENESULFONIC ACID-->2-NITROTHIOPHENOL

Material Safety Data Sheet(MSDS)	Back Directory
[msds information] 2-Nitrobenzenesulfonyl chloride(1694-92-4).msds

Hazard Information	Back Directory
[Chemical Properties] Off-white tot yellow crystalline powder
[Uses] 2-Nitrobenzenesulfonyl chloride acts as a reagent to form 2-nitrobenzenesulfonyl derivatives of alcohols and amines. It is also involved in the selective cleavage with thiophenol without displacement of the nitro group. Further, it is used in the preparation of renin inhibitors. In addition to this, it finds application as an anticonvulsant.
[Production Methods] 2-Nitrobenzenesulfonyl chloride is isolated as an intermediate in the production of 2-nitrobenzenesulfonic acid. When 2,2' - dinitrodiphenyl disulfide is chlorinated in an organic solvent the product is 2-nitrophenylsulfenyl chloride.

Spectrum Detail	Back Directory
[Spectrum Detail] 2-Nitrobenzenesulfonyl chloride(1694-92-4)MS 2-Nitrobenzenesulfonyl chloride(1694-92-4)¹HNMR 2-Nitrobenzenesulfonyl chloride(1694-92-4)¹³CNMR 2-Nitrobenzenesulfonyl chloride(1694-92-4)IR1 2-Nitrobenzenesulfonyl chloride(1694-92-4)IR2 2-Nitrobenzenesulfonyl chloride(1694-92-4)IR3 2-Nitrobenzenesulfonyl chloride(1694-92-4)Raman

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