4-Methyl-2-nitrophenyl isothiocyanate

Base Information

• Chemical Name: 4-Methyl-2-nitrophenyl isothiocyanate
• CAS No.: 17614-74-3
• Molecular Formula: C8H6 N2 O2 S
• Molecular Weight: 194.2104
• Hs Code.: 2930909090
• European Community (EC) Number: 671-345-8
• DSSTox Substance ID: DTXSID30170088
• Nikkaji Number: J266.799A
• Mol file: 17614-74-3.mol

Synonyms:4-Methyl-2-nitrophenyl isothiocyanate;17614-74-3;1-Isothiocyanato-4-methyl-2-nitrobenzene;4-METHYL-2-NITROPHENylisoTHIOCYANATE;Benzene,1-isothiocyanato-4-methyl-2-nitro-;SCHEMBL1457428;DTXSID30170088;4-Methy-2-Nitrophenyl isothiocyanate;BBL017491;GEO-01898;MFCD00041248;STK448968;AKOS003345459;VS-06213;1-Isothiocyanato-4-methyl-2-nitrobenzene #;FT-0619013;A812151;W-200172

Chemical Property of 4-Methyl-2-nitrophenyl isothiocyanate

Chemical Property:

• Vapor Pressure: 0.000109mmHg at 25°C
• Melting Point: 61-65oC
• Boiling Point: 347.3°Cat760mmHg
• Flash Point: 163.8°C
• PSA: 90.27000
• Density: 1.28g/cm³
• LogP: 3.16070
• Sensitive.: Moisture Sensitive
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 194.01499861
• Heavy Atom Count: 13
• Complexity: 245

Purity/Quality:

97% ^*data from raw suppliers

4-Methyl-2-nitrophenylisothiocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Methyl-2-nitrophenyl isothiocyanate

There total 2 articles about 4-Methyl-2-nitrophenyl isothiocyanate 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:

thiophosgene (463-71-8) + 4-methyl-2-nitroaniline (89-62-3) → (4-methyl-2-nitrophenyl)isothiocyanate (17614-74-3)

Guidance literature:

With hydrogenchloride;

DOI:10.1039/jr9340000174

Reference yield:

→ (4-methyl-2-nitrophenyl)isothiocyanate (17614-74-3)

Guidance literature:

4-Methyl-2-nitro-anilin, CSCl2;

Reference yield: 73.0%

(4-methyl-2-nitrophenyl)isothiocyanate (17614-74-3) + 3-(4-Phenyl-piperazin-1-yl)-2H-benzo[1,4]oxazin-7-ylamine (81946-64-7) → 1-(4-Methyl-2-nitro-phenyl)-3-[3-(4-phenyl-piperazin-1-yl)-2H-benzo[1,4]oxazin-7-yl]-thiourea (85839-94-7)

Guidance literature:

In benzene; at 50 ℃;

upstream raw materials:

thiophosgene

4-methyl-2-nitroaniline

Downstream raw materials:

2-amino-5-methylbenzothiazole

1-(4-Methyl-2-nitro-phenyl)-3-[3-(4-methyl-piperazin-1-yl)-2H-benzo[1,4]oxazin-7-yl]-thiourea

1-(4-Methyl-2-nitro-phenyl)-3-[3-(4-phenyl-piperazin-1-yl)-2H-benzo[1,4]oxazin-7-yl]-thiourea

N-(4-methyl-2-nitrophenyl)benzo[d]thiazol-2-amine

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 17614-74-3 4-METHYL-2-NITROPHENYL ISOTHIOCYANATE

Send

Send

Metric Ton KG G Pound L ML

Send

Send