2-[(4-Chlorophenyl)sulfanyl]aniline

Base Information

• Chemical Name: 2-[(4-Chlorophenyl)sulfanyl]aniline
• CAS No.: 37750-29-1
• Molecular Formula: C12H10ClNS
• Molecular Weight: 235.737
• European Community (EC) Number: 609-474-9
• DSSTox Substance ID: DTXSID30326962
• Nikkaji Number: J2.557.340D
• Wikidata: Q72457635
• ChEMBL ID: CHEMBL171433
• Mol file: 37750-29-1.mol

Synonyms:37750-29-1;2-Amino-4'-chlorodiphenyl sulfide;2-[(4-chlorophenyl)thio]aniline;2-((4-Chlorophenyl)thio)aniline;2-[(4-chlorophenyl)sulfanyl]aniline;2-(4-chlorophenyl)sulfanylaniline;2-(4-Chlorophenylthio)aniline;Benzenamine, 2-[(4-chlorophenyl)thio]-;NSC624237;EC 609-474-9;2-Amino-4'-chloro diphenyl sulfide;2NH2Ph-S-4ClPh;CHEMBL171433;SCHEMBL1713296;DTXSID30326962;2-Aminophenyl 4-chlorophenyl sulfide;MFCD00467319;STK503630;AKOS000120209;SB80596;NCI60_007290;CS-0269693;FT-0611101;2-((4-Chlorophenyl)thio)aniline hydrochloride;EN300-33994;F83431;A823853;J-507848

Chemical Property of 2-[(4-Chlorophenyl)sulfanyl]aniline

Chemical Property:

• Vapor Pressure: 1.02E-05mmHg at 25°C
• Melting Point: 32 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• Refractive Index: n20/D 1.574
• Boiling Point: 371.586 °C at 760 mmHg
• PKA: 2.87±0.10(Predicted)
• Flash Point: 178.529 °C
• PSA: 51.32000
• Density: 1.317 g/cm³
• LogP: 4.65460
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 235.0222482
• Heavy Atom Count: 15
• Complexity: 192

Purity/Quality:

97% ^*data from raw suppliers

2-[(4-Chlorophenyl)thio]aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F, Xn
• Hazard Codes: F,Xn
• Statements: 11-20-36/37/38
• Safety Statements: 16-25-26-29-33-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)N)SC2=CC=C(C=C2)Cl

Technology Process of 2-[(4-Chlorophenyl)sulfanyl]aniline

There total 7 articles about 2-[(4-Chlorophenyl)sulfanyl]aniline 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: 99.0%

1,3-Benzothiazole (95-16-9) + 1-Chloro-4-iodobenzene (637-87-6) → 2-(4-chlorophenylthio)aniline (37750-29-1)

Guidance literature:

With tetra(n-butyl)ammonium hydroxide; water; copper(l) chloride; at 50 ℃; for 12h; Inert atmosphere;

DOI:10.1016/j.tetlet.2012.04.004

Reference yield: 97.0%

2-iodophenylamine (615-43-0) + p-Chlorothiophenol (106-54-7) → 2-(4-chlorophenylthio)aniline (37750-29-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 0.1h; microwave irradiation;

DOI:10.1002/adsc.200700289

Reference yield: 91.0%

p-Chlorothiophenol (106-54-7) + 2-bromoaniline (615-36-1) → 2-(4-chlorophenylthio)aniline (37750-29-1)

Guidance literature:

With Cu/Al₂O₃; caesium carbonate; In N,N-dimethyl-formamide; at 110 ℃; for 8.5h;

DOI:10.1002/adsc.200900358

upstream raw materials:

4-chlorophenyl 2-nitrophenyl sulfide

1-Chloro-4-iodobenzene

2-amino-benzenethiol

2-iodophenylamine

Downstream raw materials:

N'-[2-(4-chloro-phenylsulfanyl)-phenyl]-N,N-dimethyl-propanediyldiamine

2-Chloro-N-[2-(4-chloro-phenylsulfanyl)-phenyl]-acetamide

1-azido-2-(4-chloro-phenylsulfanyl)-benzene