1-Phenyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea

Base Information

• Chemical Name: 1-Phenyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea
• CAS No.: 19177-72-1
• Molecular Formula: C9H9 Cl3 N2 O2
• Molecular Weight: 283.542
• Hs Code.: 2924299090
• European Community (EC) Number: 242-857-5
• NSC Number: 74530
• DSSTox Substance ID: DTXSID501238388
• Nikkaji Number: J224.871I
• Mol file: 19177-72-1.mol

Synonyms:1-Phenyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea;19177-72-1;EINECS 242-857-5;N-Phenyl-N'-(2,2,2-trichloro-1-hydroxyethyl)urea;1-PHENYL-3-(2,2,2-TRICHLORO-1-HYDROXY-ETHYL)-UREA;NSC74530;C9H9Cl3N2O2;NCIOpen2_004092;SCHEMBL10428574;C9-H9-Cl3-N2-O2;DTXSID501238388;NSC 74530;NSC-74530;AKOS002662704;1-phenyl-3-(2,2,2-trichloro-1-hydroxy-ethyl)urea;Urea, 1-phenyl-3-(2,2,2-trichloro-1-hydroxyethyl)-

Chemical Property of 1-Phenyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea

Chemical Property:

• Vapor Pressure: 1.35E-05mmHg at 25°C
• Boiling Point: 353.1°Cat760mmHg
• Flash Point: 167.4°C
• PSA: 61.36000
• Density: 1.575g/cm³
• LogP: 2.96060
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 281.972961
• Heavy Atom Count: 16
• Complexity: 239

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=O)NC(C(Cl)(Cl)Cl)O

Technology Process of 1-Phenyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea

There total 2 articles about 1-Phenyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea 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: 73.0%

chloral hydrate (302-17-0) + phenyl carbamate (64-10-8) → 1-phenyl-3-(α-hydroxy-β,β,β-trichloroethyl)urea (19177-72-1)

Guidance literature:

In benzene; for 5h; Heating;

DOI:10.1016/S0040-4020(01)89976-2

Reference yield:

2,2,2-Trichlor-1-hydroxy-ethylisocyanat (88982-59-6) + aniline (62-53-3) → 1-phenyl-3-(α-hydroxy-β,β,β-trichloroethyl)urea (19177-72-1)

Guidance literature:

In diethyl ether;

DOI:10.1021/jo01042a020

Reference yield: 87.0%

1-phenyl-3-(α-hydroxy-β,β,β-trichloroethyl)urea (19177-72-1) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 1-Phenyl-3-(2,2,2-trichloro-1-phenyl-ethyl)-urea (70123-13-6)

Guidance literature:

With sulfuric acid;

DOI:10.1016/S0040-4020(01)89976-2

upstream raw materials:

chloral hydrate

phenyl carbamate

2,2,2-Trichlor-1-hydroxy-ethylisocyanat

aniline

Downstream raw materials:

N',N'''-diphenyl-N,N''-(1,3-bis-trichloromethyl-2-oxa-propanediyl)-di-urea

N-phenyl-N'-(1,2,2,2-tetrachloroethyl)urea

1-Phenyl-3-(2,2,2-trichloro-1-phenyl-ethyl)-urea

N-phenyl-N'-<1-(diethoxyphosphinyl)-2,2,2-trichloroethyl>urea

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