Chloroxuron

Base Information

• Chemical Name: Chloroxuron
• CAS No.: 1982-47-4
• Molecular Formula: C15H15 Cl N2 O2
• Molecular Weight: 290.749
• Hs Code.: 2924299034
• European Community (EC) Number: 217-843-7
• UN Number: 3077,2767
• UNII: QER23C88ME
• DSSTox Substance ID: DTXSID7040287
• Nikkaji Number: J3.694C
• Wikipedia: Chloroxuron
• Wikidata: Q2964148
• ChEMBL ID: CHEMBL1568699
• Mol file: 1982-47-4.mol

Synonyms:chloroxuron

Chemical Property of Chloroxuron

Chemical Property:

• Appearance/Colour: solid
• Vapor Pressure: 1.28E-08mmHg at 25°C
• Melting Point: 151 C
• Refractive Index: 1.5200 (estimate)
• Boiling Point: 459.3°Cat760mmHg
• PKA: 14.37±0.70(Predicted)
• Flash Point: 231.6°C
• PSA: 41.57000
• Density: 1.27g/cm³
• LogP: 4.29880
• Storage Temp.: 0-6°C
• Water Solubility.: 3.7mg/L(20 oC)
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 290.0822054
• Heavy Atom Count: 20
• Complexity: 309
• Transport DOT Label: Class 9

Purity/Quality:

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

Chloroxuron ^*data from reagent suppliers

Safty Information:

• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Herbicides, Urea Derivative
• Canonical SMILES: CN(C)C(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)Cl
• Uses: Herbicide. Postemergence herbicide used to control most annual grasses and broad-leaved weeds

Technology Process of Chloroxuron

There total 2 articles about Chloroxuron 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: 68.0%

N,N-dimethylammonium chloride (506-59-2) + 4-(4-chlorophenoxy)phenyl isocyanate (30087-46-8) → chloroxuron (1982-47-4)

Guidance literature:

N,N-dimethylammonium chloride; 4-(4-chlorophenoxy)phenyl isocyanate; In dichloromethane; for 0.333333h; Inert atmosphere;

With ISOXAZOLE; In dichloromethane; at 20 ℃; for 24h;

Reference yield:

→ chloroxuron (1982-47-4)

Guidance literature:

p-(4-Chlorphenoxy)phenylisocyanat, HN(CH3)2;

Reference yield:

chloroxuron (1982-47-4) → Formanilid (103-70-8)

Guidance literature:

With laccase-zein-polyuretane nanofiber; In methanol; water; at 30 ℃; pH=4.5; Darkness; Enzymatic reaction;

DOI:10.1016/j.molcatb.2013.10.022

upstream raw materials:

N,N-dimethylammonium chloride

4-(4-chlorophenoxy)phenyl isocyanate

Downstream raw materials:

Formanilid

Refernces

• 1、 -. "Process for the preparation of pure, unsymmetrically disubstituted ureas". . . Retrieved 2008/06/13.