Pendimethalin

Base Information

• Chemical Name: Pendimethalin
• CAS No.: 40487-42-1
• Deprecated CAS: 39336-60-2,64667-17-0,64719-41-1,155421-40-2,64667-17-0,64719-41-1
• Molecular Formula: C13H19N3O4
• Molecular Weight: 281.312
• Hs Code.: 29214990
• European Community (EC) Number: 254-938-2
• UN Number: 3077,2588
• UNII: VL6L14C06U
• DSSTox Substance ID: DTXSID7024245
• Nikkaji Number: J1.892I
• Wikipedia: Pendimethalin
• Wikidata: Q423895
• Metabolomics Workbench ID: 67727
• ChEMBL ID: CHEMBL1256630
• Mol file: 40487-42-1.mol

Synonyms:N-(1-ethylpropyl)-2,6-dinitro-3,4-xylidine;N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitrobenzenamine;pendimethalin;Prowl

Chemical Property of Pendimethalin

Chemical Property:

• Appearance/Colour: orange-yellow crystals
• Vapor Pressure: 8.01E-06mmHg at 25°C
• Melting Point: 56-57 °C
• Refractive Index: 1.551
• Boiling Point: 421 °C at 760 mmHg
• PKA: -2.24±0.33(Predicted)
• Flash Point: 208.4 °C
• PSA: 103.67000
• Density: 1.215 g/cm³
• LogP: 4.83970
• Storage Temp.: APPROX 4°C
• Water Solubility.: <0.5 mg/L
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 281.13755610
• Heavy Atom Count: 20
• Complexity: 349
• Transport DOT Label: Class 9

Purity/Quality:

99% ^*data from raw suppliers

Pendimethalin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, N, T, F
• Hazard Codes: Xi;N,N,Xi,T,F
• Statements: 43-50/53-39/23/24/25-23/24/25-11
• Safety Statements: 2-24-29-37-60-61-45-16-7-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Herbicides, Nitroaromatic
• Canonical SMILES: CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-]
• Uses: Herbicide. used to control many annual grasses and broad-leaved weeds in crops such as corn, cotton, peanuts, potatoes, rice, sorghum, sunflower and tobacco. Herbicide used to control the spread of weedgrass.

Technology Process of Pendimethalin

There total 17 articles about Pendimethalin 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: 99.1%

N-(1-ethylpropyl)-2,6-dinitro-N-(3,4-dimethylphenyl)acetamide → prowl (40487-42-1)

Guidance literature:

With sulfuric acid; In water; 1,2-dichloro-ethane; at 85 ℃; for 4h;

Reference yield: 93.0%

3,4-dimethyl-2,6-dinitroanisole (160754-06-3) + 3-aminopentane (616-24-0) → prowl (40487-42-1)

Guidance literature:

With calcium chloride; at 50 ℃;

DOI:10.1080/00304940902958669

Reference yield: 91.0%

1,2,6-trinitro-o-xylene + 3-aminopentane (616-24-0) → 3,4-dimethyl-2,6-dinitro-N-(ethylpropyl) aniline + prowl (40487-42-1)

Guidance literature:

In methanol;

upstream raw materials:

3,4-dimethyl-2,6-dinitroanisole

3-aminopentane

N-(1-ethylpropyl)-3,4-dimethyl-benzenamine

chlorobenzene

Downstream raw materials:

N-(1-ethylpropyl)-3,4-dimethyl-2-nitrobenzene-1,6-diamine

2,6-dinitro-3,4-dimethylphenol

2-Amino-6-nitro-N-(1-ethylpropyl)-3,4-xylidine

Refernces

• 1、 Chen, Yizheng,Zhao, Yuchao,Han, Mei,Ye, Chunbo,Dang, Minhui,Chen, Guangwen. "Safe, efficient and selective synthesis of dinitro herbicides via a multifunctional continuous-flow microreactor: One-step dinitration with nitric acid as agent". . p. 91 - 94. Retrieved 2013/02/23.
• 2、 -. "Oil suspension concentrates based on a cyclohexenone oxime ether lithium salt and the use thereof as plant protection agents". . . Retrieved 2008/06/13.