4-Methoxy-2-nitrophenyl isothiocyanate

Base Information

• Chemical Name: 4-Methoxy-2-nitrophenyl isothiocyanate
• CAS No.: 23165-60-8
• Molecular Formula: C8H6N2O3S
• Molecular Weight: 210.213
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID20177748
• Nikkaji Number: J267.218I
• Mol file: 23165-60-8.mol

Synonyms:4-Methoxy-2-nitrophenyl isothiocyanate;23165-60-8;1-Isothiocyanato-4-methoxy-2-nitrobenzene;4-METHOXY-2-NITROPHENylisoTHIOCYANATE;Benzene,1-isothiocyanato-4-methoxy-2-nitro-;SCHEMBL1457307;DTXSID20177748;4-methoxy 2-nitrophenylisothiocyanate;BBL017987;MFCD00041380;STK502629;AKOS005171067;VS-06640;1-isothiocyanato-4-methoxy-2-nitro-benzene;1-Isothiocyanato-4-methoxy-2-nitrobenzene #;FT-0618883;A816607;4-Methoxy-2-nitrophenyl isothiocyanate, AldrichCPR;(1S,2R)-FMOC-2-AMINOCYCLOHEXANECARBOXYLICACID

Chemical Property of 4-Methoxy-2-nitrophenyl isothiocyanate

Chemical Property:

• Vapor Pressure: 1.17E-05mmHg at 25°C
• Melting Point: 111 °C
• Refractive Index: 1.604
• Boiling Point: 380.7 °C at 760 mmHg
• Flash Point: 184 °C
• PSA: 99.50000
• Density: 1.33 g/cm³
• LogP: 2.86090
• Sensitive.: Moisture Sensitive
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 210.00991323
• Heavy Atom Count: 14
• Complexity: 260

Purity/Quality:

99% ^*data from raw suppliers

4-Methoxy-2-nitrophenylIsothiocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38-43
• Safety Statements: 26-36/37/39-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)N=C=S)[N+](=O)[O-]

Technology Process of 4-Methoxy-2-nitrophenyl isothiocyanate

There total 2 articles about 4-Methoxy-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-methoxy-2-nitroaniline (96-96-8) → (4-methoxy-2-nitrophenyl)isothiocyanate (23165-60-8)

Guidance literature:

With hydrogenchloride; acetic acid; In chloroform; Yield given;

Reference yield:

→ (4-methoxy-2-nitrophenyl)isothiocyanate (23165-60-8)

Guidance literature:

2-Nitro-4-methoxianilin, Thiophosgen;

Reference yield: 94.0%

(4-methoxy-2-nitrophenyl)isothiocyanate (23165-60-8) + W171147 (102089-62-3) → N-(2,6-dimethylphenyl)-2-[3-(4-methoxy-2-nitrophenyl)-thioureido]-2-phenylacetamide (672961-13-6)

Guidance literature:

upstream raw materials:

thiophosgene

4-methoxy-2-nitroaniline

Downstream raw materials:

4-methoxy-2-nitrophenyl(phenyl)thiourea

2-(2-Nitro-4-methoxyphenylamino)-benzothiazole

5-(2-chlorophenyl)-1,2,3,6,7,9-hexahydro-N-(4-methoxy-2-nitrophenyl)-2-oxo-1-(2-phenyl-ethyl)-8H-pyrido[4',3':4,5]thieno[2,3-e]-1,4-diazepine-8-carbothioamide

5-(2-chlorophenyl)-1,2,3,6,7,9-hexahydro-N-(4-methoxy-2-nitrophenyl)-1-(2-phenylethyl)-2-thioxo-8H-pyrido[4',3':4,5]thieno[2,3-e]-1,4-diazepine-8-carbothioamide

Refernces