(2-Chlorophenyl)urea

Base Information

• Chemical Name: (2-Chlorophenyl)urea
• CAS No.: 114-38-5
• Molecular Formula: C7H7 Cl N2 O
• Molecular Weight: 170.598
• Hs Code.: 2924299090
• NSC Number: 42111
• UNII: W4UB5E9CW5
• DSSTox Substance ID: DTXSID1074460
• Nikkaji Number: J308.166D
• Wikidata: Q82002794
• Mol file: 114-38-5.mol

Synonyms:2-chlorophenylurea;ortho-chlorophenylurea

Chemical Property of (2-Chlorophenyl)urea

Chemical Property:

• Vapor Pressure: 0.0089mmHg at 25°C
• Melting Point: 152°C
• Boiling Point: 265.9°Cat760mmHg
• PKA: 14.07±0.70(Predicted)
• Flash Point: 114.6°C
• PSA: 55.12000
• Density: 1.402g/cm³
• LogP: 2.60390
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 170.0246905
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-(2-Chlorophenyl)urea 95+% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (2-Chlorophenyl)urea

There total 15 articles about (2-Chlorophenyl)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: 86.0%

o-chloroaniline (95-51-2) + urea (57-13-6) → (2-chlorophenyl)urea (114-38-5)

Guidance literature:

urea; With mannitol; citric acid; at 80 ℃;

o-chloroaniline; With iodine; at 80 ℃; for 13h;

DOI:10.1080/00304948.2014.944408

Reference yield: 85.0%

sodium isocyanate (917-61-3) + o-chloroaniline (95-51-2) → (2-chlorophenyl)urea (114-38-5)

Guidance literature:

With acetic acid; In water; for 0.5h;

Reference yield: 78.0%

o-chlorophenylthiourea (5344-82-1) → (2-chlorophenyl)urea (114-38-5)

Guidance literature:

With cetyl-trimethylammonium dichromate; acetic acid; In acetonitrile; chemoselective reaction; Reflux;

DOI:10.1080/00397910903398684

upstream raw materials:

phenyl carbamate

o-chloroaniline

acetic acid

sodium isocyanate

Downstream raw materials:

N-(2-chlorophenyl)acetamide

(2-chloro-phenyl)-[4-(4-chloro-phenyl)-oxazol-2-yl]-amine

Refernces

• 1、 álvarez, Daniel,Cadierno, Victorio,Crochet, Pascale,González-Fernández, Rebeca,López, Ramón,Menéndez, M. Isabel. "Catalytic hydration of cyanamides with phosphinous acid-based ruthenium(ii) and osmium(ii) complexes: scope and mechanistic insights". . p. 4084 - 4098. Retrieved 2020/07/09.
• 2、 Das, Somnath,Natarajan, Palani,K?nig, Burkhard. "Teaching Old Compounds New Tricks: DDQ-Photocatalyzed C?H Amination of Arenes with Carbamates, Urea, and N-Heterocycles". supporting information. p. 18161 - 18165. Retrieved 2017/12/28.