3-(TRIFLUOROMETHYL)BENZYL MERCAPTAN

Base Information

• Chemical Name: 3-(TRIFLUOROMETHYL)BENZYL MERCAPTAN
• CAS No.: 25697-55-6
• Molecular Formula: C8H7F3S
• Molecular Weight: 192.205
• Hs Code.: 2930909090
• Mol file: 25697-55-6.mol

Synonyms:Methanethiol,(a,a,a-trifluoro-m-tolyl)- (8CI);1-(Mercaptomethyl)-3-trifluoromethylbenzene;3-(Trifluoromethyl)benzenemethanethiol;3-(Trifluoromethyl)toluene-a-thiol;[3-(Trifluoromethyl)phenyl]methanethiol;m-(Trifluoromethyl)benzyl mercaptan;

Chemical Property of 3-(TRIFLUOROMETHYL)BENZYL MERCAPTAN

Chemical Property:

• Vapor Pressure: 0.53mmHg at 25°C
• Refractive Index: 1.49
• Boiling Point: 197.5 °C at 760 mmHg
• PKA: 9.47±0.25(Predicted)
• Flash Point: 74.1 °C
• PSA: 38.80000
• Density: 1.253 g/cm³
• LogP: 3.13520
• Sensitive.: Stench

Purity/Quality:

97% ^*data from raw suppliers

3-(Trifluoromethyl)benzylMercaptan ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22
• Safety Statements: 23-36/37

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(TRIFLUOROMETHYL)BENZYL MERCAPTAN

There total 3 articles about 3-(TRIFLUOROMETHYL)BENZYL MERCAPTAN 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:

2-(3-Trifluoromethyl-benzyl)-isothiourea (792843-57-3) → m-trifluoromethylbenzyl mercaptan (25697-55-6)

Guidance literature:

With sodium hydroxide; at 70 ℃; for 0.333333h;

DOI:10.1021/jm00098a004

Reference yield:

3-Trifluoromethylbenzyl chloride (705-29-3) → m-trifluoromethylbenzyl mercaptan (25697-55-6)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 3 h / Heating

2: 10 N aq. NaOH / 0.33 h / 70 °C

With sodium hydroxide; In ethanol;

DOI:10.1021/jm00098a004

Reference yield:

→ m-trifluoromethylbenzyl mercaptan (25697-55-6)

Guidance literature:

aus S-(m-Trifluormethyl-benzyl)-thiuroniumchlorid, NaHCO3;

DOI:10.1021/jo01267a030

upstream raw materials:

2-(3-Trifluoromethyl-benzyl)-isothiourea

3-Trifluoromethylbenzyl chloride

Downstream raw materials:

1-[(4-chlorobutyl)thiomethyl]-3-trifluoromethylbenzene

4-(2-fluorophenyl)-1,2,3,6-tetrahydro-1-methylpyridine

4-(2-Fluoro-phenyl)-1-methyl-4-(3-trifluoromethyl-benzylsulfanyl)-piperidine

hexakis-(3-trifluoromethylbenzylthiomethyl)benzene