Thiocyanic acid, 4-methyl-2-nitrophenyl ester

Base Information

• Chemical Name: Thiocyanic acid, 4-methyl-2-nitrophenyl ester
• CAS No.: 71215-88-8
• Molecular Formula: C8H6N2O2S
• Molecular Weight: 194.2104
• DSSTox Substance ID: DTXSID0072300
• Nikkaji Number: J446.740J
• Wikidata: Q82000284
• Mol file: 71215-88-8.mol

Synonyms:71215-88-8;4-Methyl-2-nitrophenylthiocyanate;Thiocyanic acid, 4-methyl-2-nitrophenyl ester;4-methyl-2-nitrophenyl thiocyanate;[(4-METHYL-2-NITROPHENYL)SULFANYL]FORMONITRILE;(4-methyl-2-nitrophenyl) thiocyanate;3-nitro-4-thiocyanatotoluene;DTXSID0072300;MFCD00462395;STK369155;AKOS005444608;4-methyl-2-nitro-1-thiocyanato-benzene;Thiocyanic acid 4-methyl-2-nitrophenyl ester

Chemical Property of Thiocyanic acid, 4-methyl-2-nitrophenyl ester

Chemical Property:

• Vapor Pressure: 0.000573mmHg at 25°C
• Boiling Point: 311.2°Cat760mmHg
• Flash Point: 142°C
• Density: 1.36g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 194.01499861
• Heavy Atom Count: 13
• Complexity: 242

Purity/Quality:

97% ^*data from raw suppliers

4-METHYL-2-NITROPHENYL THIOCYANATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)SC#N)[N+](=O)[O-]

Technology Process of Thiocyanic acid, 4-methyl-2-nitrophenyl ester

There total 7 articles about Thiocyanic acid, 4-methyl-2-nitrophenyl ester 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: 87.0%

sodium thiocyanide (540-72-7) + 4-methyl-2-nitroaniline (89-62-3) → 3-nitro-4-thiocyanatotoluene (71215-88-8)

Guidance literature:

4-methyl-2-nitroaniline; With sulfuric acid; sodium nitrite; at 10 - 15 ℃; for 0.833333h;

sodium thiocyanide; With ammonium sulfate; iron(III) sulfate; In water; at 12 ℃; for 14h;

DOI:10.1023/A:1013241516204

Reference yield:

4-methyl-2-nitrobenzenediazonium (24920-35-2) + potassium thioacyanate (333-20-0) → 3-nitro-4-thiocyanatotoluene (71215-88-8)

Guidance literature:

With cobalt chloride; water;

Reference yield:

4-tolyl thiocyanate (5285-74-5) → 4-methyl-3-nitro-phenyl thiocyanate + 3-nitro-4-thiocyanatotoluene (71215-88-8)

Guidance literature:

With sulfuric acid; nitric acid; at 20 ℃;

upstream raw materials:

4-methyl-2-nitrobenzenediazonium

potassium thioacyanate

2-nitro-4-toluenylsulfenyl chloride

potassium cyanide

Downstream raw materials:

4,4′-dimethyl-2,2′-dinitrodiphenyldisulfide