1-Chloro-3-(sulfinylamino)benzene

Base Information

• Chemical Name: 1-Chloro-3-(sulfinylamino)benzene
• CAS No.: 15851-82-8
• Molecular Formula: C6H4ClNOS
• Molecular Weight: 173.623
• DSSTox Substance ID: DTXSID30935937
• Nikkaji Number: J102.449C
• Wikidata: Q82912040
• Mol file: 15851-82-8.mol

Synonyms:1-chloro-3-(sulfinylamino)benzene;15851-82-8;m-Chloro-N-sulfinylaniline;3-Chloro-N-sulfinylaniline;Benzenamine, 3-chloro-N-sulfinyl-;3-chloro-sulfinylaniline;SCHEMBL8631096;DTXSID30935937;MFCD00054488;AKOS017259311;LS-09072;3-CHLORO-N-(OXO-??-SULFANYLIDENE)ANILINE;1-Chloro-3-[(oxo-lambda~4~-sulfanylidene)amino]benzene

Chemical Property of 1-Chloro-3-(sulfinylamino)benzene

Chemical Property:

• Melting Point: 21 °C
• Boiling Point: 122 - 124 °C (25 mmHg)
• PSA: 61.52000
• Density: 1.37±0.1 g/cm3(Predicted)
• LogP: 3.23380
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 172.9702126
• Heavy Atom Count: 10
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)N=S=O

Technology Process of 1-Chloro-3-(sulfinylamino)benzene

There total 2 articles about 1-Chloro-3-(sulfinylamino)benzene 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: 97.0%

3-chloro-aniline (108-42-9) → 3-chloro-N-sulfinyl-aniline (15851-82-8)

Guidance literature:

With thionyl chloride; In benzene; at 80 - 85 ℃; for 8h; Sealed tube; Inert atmosphere;

DOI:10.1016/j.molstruc.2016.11.024

Reference yield:

→ 3-chloro-N-sulfinyl-aniline (15851-82-8)

Guidance literature:

m-Chloranilin, SOCl2;

DOI:10.1039/j29700000873

Reference yield: 96.0%

3-chloro-N-sulfinyl-aniline (15851-82-8) + vinyl magnesium bromide (1826-67-1) → N-(3-chlorophenyl)ethenesulfinamide (181651-03-6)

Guidance literature:

In tetrahydrofuran; for 2h; -78 deg C to room temp.;

upstream raw materials:

3-chloro-aniline

Downstream raw materials:

(3-chloro-anilino)-phenyl-methanesulfonic acid

2-(3-chloro-phenyl)-1-oxo-4,4-diphenyl-1λ⁴-[1,2]thiazetidin-3-one

2'-(3-chloro-phenyl)-1'-oxo-1'λ⁴-spiro[fluorene-9,4'-[1,2]thiazetidin]-3'-one

(3-Chloro-phenylsulfinamoyl)-acetic acid tert-butyl ester