2-nitrobenzenesulfinyl Chloride

Base Information

• Chemical Name: 2-nitrobenzenesulfinyl Chloride
• CAS No.: 36828-02-1
• Molecular Formula: C₆H₄ClNO₃S
• Molecular Weight: 205.622
• DSSTox Substance ID: DTXSID701304864
• Nikkaji Number: J1.463.714A
• Mol file: 36828-02-1.mol

Synonyms:2-nitrobenzenesulfinyl Chloride;36828-02-1;SCHEMBL876553;2-nitro-benzenesulfinyl chloride;ZMOZXVFGVAJRIJ-UHFFFAOYSA-N;DTXSID701304864;2-Nitrobenzenesulfinic acid chloride

Chemical Property of 2-nitrobenzenesulfinyl Chloride

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 204.9600419
• Heavy Atom Count: 12
• Complexity: 206

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)Cl

Technology Process of 2-nitrobenzenesulfinyl Chloride

There total 2 articles about 2-nitrobenzenesulfinyl Chloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

sodium 2-nitrobenzenesulfinate (15898-45-0) → ortho-nitrophenylsulfinyl chloride (36828-02-1)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In benzene; at 0 ℃; for 0.0833333h;

DOI:10.1002/anie.200503369

Reference yield:

→ ortho-nitrophenylsulfinyl chloride (36828-02-1)

Guidance literature:

2-Nitro-benzolsulfinsaeure, SOCl2;

Reference yield: 62.0%

pyrrolidine-1-carbonitrile (1530-88-7) + ortho-nitrophenylsulfinyl chloride (36828-02-1) → 2-Nitro-benzenesulfinic acid 1-chloro-1-pyrrolidin-1-yl-meth-(Z)-ylideneamide (76098-67-4)

Guidance literature:

at 60 ℃; for 0.5h;

DOI:10.1055/s-1980-29140

upstream raw materials:

sodium 2-nitrobenzenesulfinate

Downstream raw materials:

(6R)-3-methyl-7t-(2-nitro-benzene(Ξ)sulfinylamino)-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester

o-Nitro-benzol--iminosulfonsaeurechlorid

(6R)-3-acetoxymethyl-7t-(2-nitro-benzene(Ξ)sulfinylamino)-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester

2-Nitro-benzenesulfinic acid 1-chloro-1-pyrrolidin-1-yl-meth-(Z)-ylideneamide