3-(Methylsulfonyl)aniline hydrochloride

Base Information

• Chemical Name: 3-(Methylsulfonyl)aniline hydrochloride
• CAS No.: 80213-28-1
• Molecular Formula: C7H9 N O2 S . Cl H
• Molecular Weight: 207.681
• Hs Code.: 29214200
• European Community (EC) Number: 674-188-3
• NSC Number: 227966
• DSSTox Substance ID: DTXSID60370615
• Mol file: 80213-28-1.mol

Synonyms:80213-28-1;3-(Methylsulfonyl)aniline hydrochloride;3-methylsulfonylaniline Hydrochloride;3-methanesulfonylaniline hydrochloride;3-(methylsulphonyl)aniline hydrochloride;3-methylsulfonylaniline;hydrochloride;3-methylsulphonylaniline hydrochloride;[3-(methylsulfonyl)phenyl]amine hydrochloride;Benzenamine, 3-(methylsulfonyl)-, hydrochloride;SCHEMBL282172;DTXSID60370615;3-Methanesulfonyl-phenylamine HCl;ZMPXGSYLKFAGOV-UHFFFAOYSA-N;[3-(Methylsulfonyl)phenyl]amine HCl;3-(METHYLSULFONYL)ANILINE HCl;MFCD00216487;NSC227966;3-methansulphonylaniline hydrochloride;3-Methylsulfonyl aniline hydrochloride;AKOS015849311;NSC-227966;PS-8055;3-(Methylsulfonyl)benzenaminium chloride;3-aminophenyl methyl sulfone hydrochloride;3-(methylsulfonyl)benzenamine hydrochloride;3-methanesulfonyl-phenylamine hydrochloride;3-methane-sulfonyl-phenylamine hydrochloride;CS-0207192;FT-0676508;EN300-34402;F81442;A839864;3-(Methylsulfonyl)aniline hydrochloride, AldrichCPR;Z104346634

Chemical Property of 3-(Methylsulfonyl)aniline hydrochloride

Chemical Property:

• Vapor Pressure: 1.03E-06mmHg at 25°C
• Melting Point: 227-230 °C
• Boiling Point: 403.3ºC at 760 mmHg
• Flash Point: 197.7ºC
• PSA: 68.54000
• LogP: 3.13630
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 207.0120774
• Heavy Atom Count: 12
• Complexity: 217

Purity/Quality:

97% ^*data from raw suppliers

3-(Methylsulfonyl)anilineHydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(Methylsulfonyl)aniline hydrochloride

There total 3 articles about 3-(Methylsulfonyl)aniline hydrochloride 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:

acetic acid-(3-methanesulfonyl-anilide) (58202-85-0) → 3-methylsulfonylaniline hydrochloride (80213-28-1)

Guidance literature:

With hydrogenchloride; ethanol;

Reference yield:

N-(3-(methylthio)phenyl)acetamide (2524-78-9) → 3-methylsulfonylaniline hydrochloride (80213-28-1)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid; hydrogen peroxide

2: alcohol; hydrochloric acid

With hydrogenchloride; ethanol; dihydrogen peroxide; acetic acid;

Reference yield:

bis-(3-acetylamino-phenyl)-disulfide (23905-47-7) → 3-methylsulfonylaniline hydrochloride (80213-28-1)

Guidance literature:

Multi-step reaction with 3 steps

1: aqueous alcoholic NaOH-solution; sodium sulfide / und nachfolgendes Behandeln mit Dimethylsulfat

2: acetic acid; hydrogen peroxide

3: alcohol; hydrochloric acid

With hydrogenchloride; sodium sulfide; sodium hydroxide; ethanol; dihydrogen peroxide; acetic acid;

upstream raw materials:

acetic acid-(3-methanesulfonyl-anilide)

N-(3-(methylthio)phenyl)acetamide

bis-(3-acetylamino-phenyl)-disulfide

Downstream raw materials:

1-isothiocyanato-3-(methylsulfonyl)benzene

(3-(methylsulfonyl)phenyl)hydrazine

3-[(4-chlorophenyl)thio]-2-methyl-6-(methylsulfonyl)-1H-indole

3-Methansulfonyl-phenylisocyanat