4-Amino-3-methylphenyl thiocyanate

Base Information

• Chemical Name: 4-Amino-3-methylphenyl thiocyanate
• CAS No.: 33192-10-8
• Molecular Formula: C8H8 N2 S
• Molecular Weight: 164.231
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID80405175
• Nikkaji Number: J2.679.822A
• Wikidata: Q82209595
• Mol file: 33192-10-8.mol

Synonyms:4-amino-3-methylphenyl thiocyanate;33192-10-8;2-Methyl-4-thiocyanatoaniline;(4-amino-3-methylphenyl) thiocyanate;2-methyl-4-thiocyanato-aniline;[(4-amino-3-methylphenyl)sulfanyl]formonitrile;Thiocyanic acid,4-amino-3-methylphenyl ester;DTXSID80405175;HMS1788I13;AKOS001039270;SB75856;EN300-06887;Z56938016

Chemical Property of 4-Amino-3-methylphenyl thiocyanate

Chemical Property:

• Vapor Pressure: 0.000472mmHg at 25°C
• Boiling Point: 314.2°Cat760mmHg
• Flash Point: 143.9°C
• PSA: 75.11000
• Density: 1.22g/cm³
• LogP: 2.73158
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 164.04081944
• Heavy Atom Count: 11
• Complexity: 172

Purity/Quality:

98% ^*data from raw suppliers

[(4-amino-3-methylphenyl)sulfanyl]formonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)SC#N)N

Technology Process of 4-Amino-3-methylphenyl thiocyanate

There total 12 articles about 4-Amino-3-methylphenyl thiocyanate 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: 98.0%

ammonium thiocyanate (1147550-11-5) + o-toluidine (95-53-4) → 2-methyl-4-thiocyanatoaniline (33192-10-8)

Guidance literature:

In acetonitrile; at 20 ℃; for 3h; Electrochemical reaction; Inert atmosphere;

DOI:10.1039/c8ra04407d

Reference yield: 98.0%

ammonium thiocyanate + o-toluidine (95-53-4) → 2-methyl-4-thiocyanatoaniline (33192-10-8)

Guidance literature:

With trichloroisocyanuric acid; silica gel; In dichloromethane; at 20 ℃; for 0.0333333h; regioselective reaction;

DOI:10.1080/00397911.2010.537424

Reference yield: 98.0%

N-selenocyanatosaccharin + o-toluidine (95-53-4) → 2-methyl-4-thiocyanatoaniline (33192-10-8)

Guidance literature:

In dichloromethane; at 20 ℃; for 12h;

DOI:10.1021/acs.joc.7b02850

upstream raw materials:

potassium thioacyanate

o-toluidine

ammonium thiocyanate

hydrogenchloride

Downstream raw materials:

2-chloro-6-methyl-4-thiocyanato-aniline

(2-methyl-4-thiocyanato-phenyl)-urea

bis-(4-amino-3-methyl-phenyl)-disulfide

acetic acid-(2-methyl-4-thiocyanato-anilide)