2-CHLORO-4-METHYLPHENYL ISOTHIOCYANATE

Base Information

• Chemical Name: 2-CHLORO-4-METHYLPHENYL ISOTHIOCYANATE
• CAS No.: 57878-93-0
• Molecular Formula: C8H6ClNS
• Molecular Weight: 183.661
• Hs Code.: 29349990
• Mol file: 57878-93-0.mol

Synonyms:2-Chloro-4-methylphenylisothiocyanate;

Chemical Property of 2-CHLORO-4-METHYLPHENYL ISOTHIOCYANATE

Chemical Property:

• Vapor Pressure: 0.00444mmHg at 25°C
• Refractive Index: 1.583
• Boiling Point: 286.8 °C at 760 mmHg
• Flash Point: 127.3 °C
• PSA: 44.45000
• Density: 1.18 g/cm³
• LogP: 3.38270

Purity/Quality:

98%min ^*data from raw suppliers

2-chloro-1-isothiocyanato-4-methylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Hazard Codes: Xn:Harmful
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-CHLORO-4-METHYLPHENYL ISOTHIOCYANATE

There total 4 articles about 2-CHLORO-4-METHYLPHENYL 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: 81.0%

1-isothiocyanato-4-methylbenzene (622-59-3) → 2-chloro-4-methyl-phenyl isothiocyanate (57878-93-0)

Guidance literature:

With 2,6-di-tert-butyl-4-methyl-phenol; copper dichloride; In tetrahydrofuran; at 20 ℃; for 6h;

DOI:10.1007/s10562-017-2234-y

Reference yield:

thiophosgene (463-71-8) + 2-chloro-4-methyl-benzenamine (615-65-6) → 2-chloro-4-methyl-phenyl isothiocyanate (57878-93-0)

Guidance literature:

With chloroform; water;

DOI:10.1039/jr9310003285

Reference yield:

4-Methylacetanilide (103-89-9) → 2-chloro-4-methyl-phenyl isothiocyanate (57878-93-0)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid; water; aqueous KOH-solution; chlorine

2: water; chloroform

With potassium hydroxide; chloroform; water; chlorine; acetic acid;

DOI:10.1039/jr9310003285

upstream raw materials:

thiophosgene

2-chloro-4-methyl-benzenamine

4-Methylacetanilide

1-isothiocyanato-4-methylbenzene

Downstream raw materials:

tert-butyl 2-(1-(2-chloro-4-methylphenyl)-4-(trimethylsilyl)-1H-1,2,3-triazol-5-ylthio)acetate

C₁₂H₁₅ClN₂OS

C₁₁H₁₁ClN₂S

1-(2-Amino-ethyl)-3-(2-chloro-4-methyl-phenyl)-thiourea

Refernces

• 1、 -. "Tricyclic Compounds As mPGES-1 Inhibitors". Page/Page column 28. . Retrieved 2012/05/07.