3-Chlorophenylurea

Base Information

• Chemical Name: 3-Chlorophenylurea
• CAS No.: 1967-27-7
• Molecular Formula: C7H7 Cl N2 O
• Molecular Weight: 170.598
• Hs Code.: 2924299090
• European Community (EC) Number: 622-395-4
• NSC Number: 41826
• UNII: YM6G7RE55S
• DSSTox Substance ID: DTXSID90173338
• Nikkaji Number: J1.504.754B
• Wikidata: Q83043393
• ChEMBL ID: CHEMBL131289
• Mol file: 1967-27-7.mol

Synonyms:3-chlorophenylurea;meta-chlorophenylurea

Chemical Property of 3-Chlorophenylurea

Chemical Property:

• Vapor Pressure: 0.00716mmHg at 25°C
• Boiling Point: 269.7°Cat760mmHg
• Flash Point: 116.9°C
• PSA: 55.12000
• Density: 1.402g/cm³
• LogP: 2.60390
• XLogP3: 1.8
• 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-(3-chlorophenyl)urea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 3-Chlorophenylurea

There total 11 articles about 3-Chlorophenylurea 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: 92.0%

N-(3-chlorophenyl)cyanamide (54507-99-2) → (3-chlorophenyl)urea (1967-27-7)

Guidance literature:

With water; for 0.833333h; Reflux; Green chemistry;

DOI:10.1016/j.poly.2018.05.049

Reference yield: 89.0%

3-chlorobenzamide (618-48-4) → (3-chlorophenyl)urea (1967-27-7)

Guidance literature:

With [bis(acetoxy)iodo]benzene; ammonia; In methanol; at 0 - 20 ℃; for 48h; Inert atmosphere;

DOI:10.1055/s-0040-1707103

Reference yield: 80.0%

1-(3-chlorophenyl)-2-thiourea (4947-89-1) → (3-chlorophenyl)urea (1967-27-7)

Guidance literature:

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

DOI:10.1080/00397910903398684

upstream raw materials:

potassium cyanate

3-chloro-aniline

N-benzoyl-N'-(3-chloro-phenyl)-urea

sodium methylate

Downstream raw materials:

N_.N'-Di-(m-chlor-phenyl)-harnstoff

6-amino-1-(3-chloro-phenyl)-1H-pyrimidine-2,4-dione

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

1,4,7,10,13,16-Hexaoxa-cyclooctadecane; compound with (3-chloro-phenyl)-urea