3-(Trifluoromethyl)phenyl methylcarbamate

Base Information

• Chemical Name: 3-(Trifluoromethyl)phenyl methylcarbamate
• CAS No.: 14061-27-9
• Molecular Formula: C₉H₈F₃NO₂
• Molecular Weight: 219.163
• NSC Number: 107928
• DSSTox Substance ID: DTXSID90296137
• Wikidata: Q82036531
• Mol file: 14061-27-9.mol

Synonyms:14061-27-9;3-(trifluoromethyl)phenyl methylcarbamate;NSC107928;SCHEMBL11055180;DTXSID90296137;NSC-107928

Chemical Property of 3-(Trifluoromethyl)phenyl methylcarbamate

Chemical Property:

• Vapor Pressure: 0.0737mmHg at 25°C
• Boiling Point: 228.4°C at 760 mmHg
• Flash Point: 91.9°C
• Density: 1.293g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 219.05071298
• Heavy Atom Count: 15
• Complexity: 230

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=O)OC1=CC=CC(=C1)C(F)(F)F

Technology Process of 3-(Trifluoromethyl)phenyl methylcarbamate

There total 2 articles about 3-(Trifluoromethyl)phenyl methylcarbamate 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%

3-Trifluoromethylphenol (98-17-9) + methylcarbamoyl chloride (6452-47-7) → 3-(trifluoromethyl)phenyl methylcarbamate (14061-27-9)

Guidance literature:

3-Trifluoromethylphenol; With potassium tert-butylate; In tetrahydrofuran;

methylcarbamoyl chloride; In tetrahydrofuran;

DOI:10.3390/ijerph16091500

Reference yield:

→ 3-(trifluoromethyl)phenyl methylcarbamate (14061-27-9)

Guidance literature:

entspr. Phenol, Methylisocyanat;

upstream raw materials:

3-Trifluoromethylphenol

methylcarbamoyl chloride

Refernces