2-Chloroethyl carbamate

Base Information

• Chemical Name: 2-Chloroethyl carbamate
• CAS No.: 2114-18-3
• Molecular Formula: C3H6ClNO2
• Molecular Weight: 123.539
• Hs Code.: 2924199090
• European Community (EC) Number: 218-310-1
• NSC Number: 31185
• UNII: EM9AN7FWH5
• DSSTox Substance ID: DTXSID70878697
• Nikkaji Number: J48.521G
• Wikidata: Q72450012
• Mol file: 2114-18-3.mol

Synonyms:2-Chloroethyl carbamate;2114-18-3;Carbamic acid, 2-chloroethyl ester;Ethanol, 2-chloro-, carbamate;Chloroethyl carbamate;Ethanol, 2-chloro-, 1-carbamate;2-Chloroethanol carbamate;.beta.-Chloroethyl carbamate;EINECS 218-310-1;EM9AN7FWH5;CARBAMIC ACID, beta-CHLOROETHYL ESTER;NSC 31185;NSC-31185;BRN 1701180;Carbamic acid, .beta.-chloroethyl ester;UNII-EM9AN7FWH5;WLN: ZVO2G;SCHEMBL995685;LIJLYNWYKULUHA-UHFFFAOYSA-;DTXSID70878697;Carbamic acid 2-chloroethyl ester;AMY19018;CAA11418;NSC31185;MFCD00025467;AKOS006222284;BS-42168;LS-49136;CS-0359175;FT-0611950;4-03-00-00041 (Beilstein Handbook Reference)

Chemical Property of 2-Chloroethyl carbamate

Chemical Property:

• Vapor Pressure: 0.00976mmHg at 25°C
• Melting Point: 74-77 °C(lit.)
• Refractive Index: 1.452
• Boiling Point: 264.3 °C at 760 mmHg
• PKA: 13.18±0.50(Predicted)
• Flash Point: 113.7 °C
• PSA: 52.32000
• Density: 1.278 g/cm³
• LogP: 1.02080
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 123.0087061
• Heavy Atom Count: 7
• Complexity: 66

Purity/Quality:

98%min ^*data from raw suppliers

2-CHLOROETHYL CARBAMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCl)OC(=O)N

Technology Process of 2-Chloroethyl carbamate

There total 10 articles about 2-Chloroethyl carbamate 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: 76.0%

sodium isocyanate (917-61-3) + 2-chloro-ethanol (107-07-3) → 2-chloroethyl carbamate (2114-18-3)

Guidance literature:

With hydrogenchloride; In toluene; 1.) -2 deg to 2 deg C, 9 h, 2.) room temp., 15 h;

DOI:10.1007/BF00759756

Reference yield: 30.0%

→ 2-chloroethyl carbamate (2114-18-3)

Guidance literature:

Reference yield:

ethylene glycol (107-21-1) + cyanogen chloride (506-77-4) → 2-chloroethyl carbamate (2114-18-3)

Guidance literature:

With hydrogenchloride; In diethylene glycol dimethyl ether; at 30 - 40 ℃;

DOI:10.1021/jo01026a054

upstream raw materials:

2-hydroxyethyl carbamate

dichloromethane

ethylene glycol

cyanogen chloride

Downstream raw materials:

4-(2-carbamoyloxy-ethyl)-4-methyl-morpholinium; chloride

iodoethyl carbamate

N,N'-benzylidene-bis-carbamic acid bis-(2-chloro-ethyl ester)

Dimethylaminoethyl carbamate

Refernces

• 1、 -. "Meta-phenylenediamines, process for preparation thereof, intermediate compounds and use of these meta-phenylenediamines as couplers for the oxidation dyeing of keratinous fibres and especially human hair". . . Retrieved 2008/06/13.