2-Chloroethyl N-phenylcarbamate

Base Information

• Chemical Name: 2-Chloroethyl N-phenylcarbamate
• CAS No.: 3747-48-6
• Molecular Formula: C9H10ClNO2
• Molecular Weight: 199.637
• European Community (EC) Number: 636-431-1
• NSC Number: 44289,29703,189
• UNII: D0Q5U397XI
• DSSTox Substance ID: DTXSID70190907
• Nikkaji Number: J1.394.477F
• Wikidata: Q27275944
• Mol file: 3747-48-6.mol

Synonyms:2-Chloroethyl N-phenylcarbamate;2-Chloroethyl phenylcarbamate;3747-48-6;Ethanol, 2-chloro-, carbanilate;Ethanol, 2-chloro-, phenylcarbamate;N-(2-Chloroethoxycarbonyl)aniline;CARBANILIC ACID, 2-CHLOROETHYL ESTER;UNII-D0Q5U397XI;D0Q5U397XI;HSDB 2756;NSC 189;NSC-189;NSC 29703;NSC 44289;NSC-29703;NSC-44289;Ethanol, phenylcarbamate;AI3-17233;2-Chloroethylphenylcarbamate;2-Chloroethanol phenylcarbamate;2-CHLOROETHYLCARBANILATE;NSC189;SCHEMBL11495121;DTXSID70190907;QYQGDFBVSZVCKQ-UHFFFAOYSA-N;NSC29703;NSC44289;AKOS024334272;2-CHLOROETHYL N-PHENYLCARBAMATE [HSDB];ETHANOL, 2-CHLORO-, 1-(N-PHENYLCARBAMATE);Q27275944

Chemical Property of 2-Chloroethyl N-phenylcarbamate

Chemical Property:

• Vapor Pressure: 0.0169mmHg at 25°C
• Boiling Point: 254.8°C at 760 mmHg
• Flash Point: 107.9°C
• Density: 1.273g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 199.0400063
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Carbamic Acid Esters
• Canonical SMILES: C1=CC=C(C=C1)NC(=O)OCCCl

Technology Process of 2-Chloroethyl N-phenylcarbamate

There total 3 articles about 2-Chloroethyl N-phenylcarbamate 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-Chloroethyl chloroformate (627-11-2) + aniline (62-53-3) → 1-chloro-2-phenylcarbamoyloxy-ethane (3747-48-6)

Guidance literature:

With pyridine; In dichloromethane;

Reference yield:

phenyl isocyanate (103-71-9) + 2-chloro-ethanol (107-07-3) → 1-chloro-2-phenylcarbamoyloxy-ethane (3747-48-6)

Guidance literature:

DOI:10.1021/i560108a014 DOI:10.1016/0584-8539(83)80121-4

Reference yield:

→ 1-chloro-2-phenylcarbamoyloxy-ethane (3747-48-6)

Guidance literature:

Phenylisocyanat, entspr. Alkohol;

upstream raw materials:

phenyl isocyanate

2-chloro-ethanol

2-Chloroethyl chloroformate

aniline

Downstream raw materials:

N-phenyl-2-oxazolidinone

phenyl-carbamic acid-(2-iodo-ethyl ester)

phenyl-carbamic acid-(2-fluoro-ethyl ester)

2-Anilinoethanol