Monuron

Base Information

• Chemical Name: Monuron
• CAS No.: 150-68-5
• Molecular Formula: C9H11 Cl N2 O
• Molecular Weight: 198.652
• Hs Code.: 29242990
• European Community (EC) Number: 205-766-1
• NSC Number: 8949
• UN Number: 3077,2588
• UNII: I99GAK5X1D
• DSSTox Substance ID: DTXSID0020311
• Nikkaji Number: J2.553D
• Wikidata: Q6406955
• Metabolomics Workbench ID: 55803
• ChEMBL ID: CHEMBL467623
• Mol file: 150-68-5.mol

Synonyms:chlorophenyl dimethylurea;monouron;monuron

Chemical Property of Monuron

Chemical Property:

• Vapor Pressure: 0Pa at 20℃
• Melting Point: 173-174 °C(lit.)
• Refractive Index: 1.5330 (estimate)
• Boiling Point: 358.8°Cat760mmHg
• PKA: 14.22±0.70(Predicted)
• Flash Point: 170.8°C
• PSA: 32.34000
• Density: 1,27g/cm3
• LogP: 2.50650
• Storage Temp.: 0-6°C
• Water Solubility.: 262mg/L(25 oC)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 198.0559907
• Heavy Atom Count: 13
• Complexity: 177
• Transport DOT Label: Class 9

Purity/Quality:

99.9% ^*data from raw suppliers

3-?(4-?Chlorophenyl)?-?1,?1-?dimethylurea ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,N
• Statements: 22-40-50/53
• Safety Statements: 36/37-60-61

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)Cl
• Uses: Monuron may be used as a reference standard in the determination of monuron in rice and corn using high performance liquid chromatography coupled with fluorescence detection combined with ultraviolet decomposition and post-column derivatization. Herbicide, sugarcane-flowering suppressant.

Technology Process of Monuron

There total 26 articles about Monuron 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: 99.0%

(BU4N)Pd(CO)Cl3 + VCl3.3THF + 4-chlorobenzonitrile (100-00-5) → monuron (150-68-5)

Guidance literature:

With tetrabutyl-ammonium chloride; dimethyl amine; In 1,2-dichloro-benzene;

Reference yield: 99.0%

p-chlorphenylisocyanate (104-12-1) + dimethyl amine (124-40-3) → monuron (150-68-5)

Guidance literature:

In chlorobenzene;

Reference yield: 96.0%

[{Ph2P(Se)NCH2CH2NPPh2(Se)}Ti(NMe2)2] + p-chlorphenylisocyanate (104-12-1) → monuron (150-68-5)

Guidance literature:

[{Ph₂P(Se)NCH₂CH₂NPPh₂(Se)}Ti(NMe₂)₂]; p-chlorphenylisocyanate; In toluene; at 25 ℃; for 0.166667h; Schlenk technique; Inert atmosphere;

With 2,6-diisopropylbenzenamine; In toluene; at 25 ℃; for 1h; Schlenk technique; Inert atmosphere;

DOI:10.1039/c6dt03063g

upstream raw materials:

p-chlorphenylisocyanate

dimethyl amine

4-chloro-aniline

urea

Downstream raw materials:

4-chloro-aniline

dimethyl amine

fenuron

methylamine

Refernces

• 1、 Zhu, Xiancui,Xu, Mengchen,Sun, Jinrong,Guo, Dianjun,Zhang, Yiwei,Zhou, Shuangliu,Wang, Shaowu. "Hydroamination and Hydrophosphination of Isocyanates/Isothiocyanates under Catalyst-Free Conditions". . p. 5213 - 5218. Retrieved 2021/10/19.
• 2、 Wang, Chun-Meng,Tang, Kai-Xiang,Gao, Tian-Hong,Chen, Lin,Sun, Li-Ping. "Cu(II)-Catalyzed Ortho-C-H Nitration of Aryl Ureas by C-H Functionalization". . p. 8315 - 8321. Retrieved 2018/07/15.