Chlornitrofen

Base Information

• Chemical Name: Chlornitrofen
• CAS No.: 1836-77-7
• Molecular Formula: C12H6 Cl3 N O3
• Molecular Weight: 318.544
• Hs Code.: 2904200090
• European Community (EC) Number: 217-407-6
• UNII: 1NMN2MY1CW
• DSSTox Substance ID: DTXSID0041775
• Nikkaji Number: J2.132F
• Wikidata: Q11299853
• Metabolomics Workbench ID: 67648
• ChEMBL ID: CHEMBL4520017
• Mol file: 1836-77-7.mol

Synonyms:1,3,5-trichloro-2-(4-nitrophenoxy)benzene;2,4,6-trichlorophenyl 4-nitrophenyl ether;chlornitrofen

Chemical Property of Chlornitrofen

Chemical Property:

• Appearance/Colour: yellow crystalline powder
• Melting Point: 105-106°
• Refractive Index: 1.6200 (estimate)
• Boiling Point: 370.4 °C at 760 mmHg
• Flash Point: 177.8 °C
• PSA: 55.05000
• Density: 1.533 g/cm³
• LogP: 5.87050
• Storage Temp.: 0-6°C
• Water Solubility.: 764ug/L(22 oC)
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 316.941326
• Heavy Atom Count: 19
• Complexity: 306

Purity/Quality:

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

Chlornitrofen PESTANAL?, analytical standard ^*data from reagent suppliers

Safty Information:

• Pictogram(s): XiF
• Hazard Codes: Xi,F,N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2Cl)Cl)Cl
• Uses: Herbicide.

Technology Process of Chlornitrofen

There total 3 articles about Chlornitrofen 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: 100.0%

4-Fluoronitrobenzene (350-46-9,178603-76-4) + 2,4,6-Trichlorophenol (88-06-2,67471-29-8) → p-nitrophenyl 2,4,6-trichlorophenyl ether (1836-77-7)

Guidance literature:

With cesium fluoride/clinoptilolite; In dimethyl sulfoxide; at 110 ℃; for 3h;

DOI:10.1139/cjc-2015-0300

Reference yield:

4-chlorobenzonitrile (100-00-5) → p-nitrophenyl 2,4,6-trichlorophenyl ether (1836-77-7)

Guidance literature:

at 170 ℃;

Reference yield:

→ p-nitrophenyl 2,4,6-trichlorophenyl ether (1836-77-7)

Guidance literature:

2,4,6-Trichlorphenol, p-Chlornitrobenzol;

upstream raw materials:

4-chlorobenzonitrile

4-Fluoronitrobenzene

2,4,6-Trichlorophenol

Downstream raw materials:

sodium 1-deoxy-1--β-D-glucopyranuronate

3,4,6-tri-O-acetyl-1,2-O-<1-ethylidene>-α-D-glucopyranose

N-acetyl-4-(2,4,6-trichlorophenoxy)anilino 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside

N-acetyl-4-(2,4,6-trichlorophenoxy)anilino β-D-glucopyranoside

Refernces

• 1、 Khalilzadeh, Mohammad A.,Hosseini, Abolfazl,Pilevar, Afsaneh. "Potassium fluoride supported on natural nanoporous zeolite: A new solid base for the synthesis of diaryl ethers". experimental part. p. 1587 - 1592. Retrieved 2011/04/22.
• 2、 -. "Process of improving activity of herbicides and fertilizers using N-(2-hydroxyethyl)-acetamide or -propanamide". . . Retrieved 2008/06/13.