Carbamic acid, (2-chloroethyl)-, 4-nitrophenyl ester

Base Information

• Chemical Name: Carbamic acid, (2-chloroethyl)-, 4-nitrophenyl ester
• CAS No.: 55661-42-2
• Molecular Formula: C9H9 Cl N2 O4
• Molecular Weight: 244.634
• DSSTox Substance ID: DTXSID50971014
• Nikkaji Number: J1.429.744H
• Mol file: 55661-42-2.mol

Synonyms:4-nitrophenyl-N-(2-chloroethyl)-N-nitrosocarbamate;NPCENC

Chemical Property of Carbamic acid, (2-chloroethyl)-, 4-nitrophenyl ester

Chemical Property:

• Vapor Pressure: 8.32E-06mmHg at 25°C
• Boiling Point: 374.5°Cat760mmHg
• Flash Point: 180.3°C
• PSA: 87.64000
• Density: 1.393g/cm³
• LogP: 2.64960
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 244.0250845
• Heavy Atom Count: 16
• Complexity: 248

Purity/Quality:

99% ^*data from raw suppliers

4-NITROPHENYL 2-CHLOROETHYLCARBAMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC(=O)NCCCl

Technology Process of Carbamic acid, (2-chloroethyl)-, 4-nitrophenyl ester

There total 3 articles about Carbamic acid, (2-chloroethyl)-, 4-nitrophenyl ester 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: 85.0%

2-chloroethyl isothiocyanate (1943-83-5) + 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → N-(chloro-2 ethyl) carbamate de p. nitrophenyle (55661-42-2)

Guidance literature:

With pyridine; for 3h; Ambient temperature;

Reference yield: 42.7%

2-chloroethanamine hydrochloride (870-24-6) + 4-Nitrophenyl chloroformate (7693-46-1) → N-(chloro-2 ethyl) carbamate de p. nitrophenyle (55661-42-2)

Guidance literature:

With sodium bicarbonate; In cyclohexane; water; acetone; benzene;

Reference yield:

→ N-(chloro-2 ethyl) carbamate de p. nitrophenyle (55661-42-2)

Guidance literature:

p-Nitrophenyl-1-aziridin-carboxylat (IV) in A. + konz.HCl, Δ;

DOI:10.1007/BF03032576

upstream raw materials:

2-chloroethyl isothiocyanate

4-nitro-phenol

2-chloroethanamine hydrochloride

4-Nitrophenyl chloroformate

Downstream raw materials:

4-nitro-phenol

p-nitrophenyl N-(2-chloroethyl)-N-nitroso-carbamate

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