3-ACETYLPHENYL ISOTHIOCYANATE

Base Information

• Chemical Name: 3-ACETYLPHENYL ISOTHIOCYANATE
• CAS No.: 3125-71-1
• Molecular Formula: C9H7NOS
• Molecular Weight: 177.227
• Hs Code.: 2930909090
• Mol file: 3125-71-1.mol

Synonyms:Isothiocyanicacid, m-acetylphenyl ester (7CI,8CI);1-(3-Isothiocyanatophenyl)ethanone;3-Acetylphenyl isothiocyanate;

Chemical Property of 3-ACETYLPHENYL ISOTHIOCYANATE

Chemical Property:

• Vapor Pressure: 0.000247mmHg at 25°C
• Melting Point: 26 °C
• Refractive Index: 1.648
• Boiling Point: 324.4 °C at 760 mmHg
• Flash Point: 150 °C
• PSA: 61.52000
• Density: 1.11 g/cm³
• LogP: 2.62350
• Sensitive.: Moisture Sensitive
• Water Solubility.: 8.33mg/L(25 oC)

Purity/Quality:

99% ^*data from raw suppliers

3-AcetylphenylIsothiocyanate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-ACETYLPHENYL ISOTHIOCYANATE

There total 2 articles about 3-ACETYLPHENYL 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:

1-(3-aminophenyl)ethanone (99-03-6) → 3-methylcarbonylphenyl isothiocyanate (3125-71-1)

Guidance literature:

DOI:10.1021/ja01165a600

Reference yield:

→ 3-methylcarbonylphenyl isothiocyanate (3125-71-1)

Guidance literature:

3-Acetyl-anilin, Thiophosgen;

Reference yield: 90.0%

3-methylcarbonylphenyl isothiocyanate (3125-71-1) + benzamidine monohydrochloride (1670-14-0) → 1-(3-acetylphenyl)-3-benzenecarboximidoylthiourea

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1055/s-0035-1560349

upstream raw materials:

1-(3-aminophenyl)ethanone

Downstream raw materials:

{5-[3-(3-acetyl-phenyl)-thioureido]-1H-pyrazol-3-yl}-carbamic acid tert-butyl ester

N-({[(3-acetylphenyl)amino]thioxomethyl}amino){3-[3-(trifluoromethyl)phenoxy]phenyl}carboxamide

3-acetylphenyl(1-thia-3-azaspiro[5.5]undec-2-en-2-yl)amine

C₁₇H₂₂N₂OS