1041-15-2

Basic information

• Product Name: Benzenesulfonothioic acid, 4-nitro-, S-(4-nitrophenyl) ester
• CAS NO: 1041-15-2
• Molecular Formula: C12H8N2O6S2
• Molecular Weight: 340.337
• Mol File: 1041-15-2.mol
• Article Data: 17

Chemical Properties

• CAS DataBase Reference: Benzenesulfonothioic acid, 4-nitro-, S-(4-nitrophenyl) ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenesulfonothioic acid, 4-nitro-, S-(4-nitrophenyl) ester(1041-15-2)
• EPA Substance Registry System: Benzenesulfonothioic acid, 4-nitro-, S-(4-nitrophenyl) ester(1041-15-2)

Safety Data

• Hazardous Substances Data: 1041-15-2(Hazardous Substances Data)

Upstream product

• 67-56-1 methanol 
• 937-32-6 4-nitrobenzenesulfenyl chloride 
• 64-17-5 ethanol 
• 64-19-7 acetic acid 
• 56-23-5 tetrachloromethane 
• 71-43-2 benzene 
• 100-32-3 di(p-nitrophenyl) disulfide 
• 18107-98-7 N²-Benzolsulfonyl-N¹,N¹-dimethyl-p-nitro-benzolsulfinsaeure-amidin 
• 18107-91-0 N²-Benzolsulfonyl-N¹-methyl-p-nitro-benzolsulfinsaeure-amidin 
• 15959-31-6 sodium 4-nitrobenzenesulfinate 
• 13088-17-0 4-nitro-benzenesulfinyl chloride 
• 76410-92-9 1-(butylsulfinyl)-4-nitrobenzene 
• 101414-49-7 N-(diethoxymethylene)amino(p-nitrophenyl)dichlorosulfurane 
• 101414-52-2 N-amino(p-nitrophenyl)dichlorosulfurane 

Downstream Products

• 1136-02-3 ethyl p-nitrobenzenethiosulfonate 
• 112128-60-6 N,N-Diethyl-S-(4-nitro-phenyl)-thiohydroxylamine 
• 100-32-3 di(p-nitrophenyl) disulfide 
• 69887-09-8 (4-nitrophenyl)(perfluorophenyl)sulfane 
• 94583-15-0 S-(p-tolyl) 4-nitrobenzenesulfonothioate 
• 1098-16-4 (2,4-dinitro-phenyl)-(4-nitro-phenyl)-sulfone 
• 3660-41-1 p-nitrophenylsulfonothioic phenyl ester 
• 1199-67-3 4-nitro-benzenesulfinic acid 

Relevant articles and documents

S-(4-Nitrophenyl) 4-nitrobenzene-thiosulfonate

The title compound, C12H8N2O 6S2, (I), is a positional isomer of S-(2-nitro-phenyl) 2-nitrobenzenethiosulfonate [Glidewell, Low & Wardell (2000). Acta Cryst. B56, 893-905], (II). The most obvious difference between the two isomers is the rotation of the nitro groups with respect to the planes of the adjacent aryl rings. In (I), the nitro groups are only slightly rotated out of the plane of the adjacent aryl ring [2.4 (6) and 6.7 (7)°], while in (II) the nitro groups are rotated by between 37 and 52°, in every case associated with S - S - C - C torsion angles close to 90°. Other important differences between the isomers are the C - S - S(O2) - C torsion angle [78.39 (2)° for (I) and 69.8 (3)° for (II) (mean)] and the dihedral angles between the aromatic rings [12.3 (3)° for (I) and 28.6 (3)° for (II) (mean)]. There are two types of C - H...O hydrogen bond in the structure [C...O = 3.262 (7) A and C - H...O = 144°; C...O = 3.447 (7) A and C - H...O = 166°] and these link the molecules into a two-dimensional framework. The hydrogen-bond-acceptor properties differ between the two isomers.

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Synthesis of Symmetrical Thiosulfonates via Cu(OTf)2-Catalyzed Reductive Homocoupling of Arenesulfonyl Chlorides

A variety of symmetrical thiosulfonates are synthesized via Cu-catalyzed reductive homocoupling of aryl sulfonyl chlorides. This protocol uses organic amine acting as a mild reductant and low-cost copper as an effective catalyst. Such a reductive coupling process features a broad substrate scope and good functional group tolerance. Related thiosulfonate products can also be converted into diverse functional molecules.

The organocatalytic synthesis of perfluorophenylsulfides: Via the thiolation of trimethyl(perfluorophenyl)silanes and thiosulfonates

The organic superbase t-Bu-P4-catalyzed direct thiolation of trimethyl(perfluorophenyl)silanes and thiosulfonates was developed. Yields of perfluorophenylsulfides of up to 97% under catalysis of 5 mol% t-Bu-P4 were achieved. This method was shown to provide an efficient way to construct the perfluorophenyl-sulfur bond under mild metal-free reaction conditions. This journal is