Fluchloralin

Base Information

• Chemical Name: Fluchloralin
• CAS No.: 33245-39-5
• Molecular Formula: C12H13 Cl F3 N3 O4
• Molecular Weight: 355.701
• Hs Code.: 29214300
• European Community (EC) Number: 251-426-0
• UNII: 98UIF19AH9
• DSSTox Substance ID: DTXSID9032614
• Nikkaji Number: J20.322J
• Wikidata: Q15632819
• ChEMBL ID: CHEMBL1256704
• Mol file: 33245-39-5.mol

Synonyms:Basalin;fluchloralin;N-(2-chloroethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline

Chemical Property of Fluchloralin

Chemical Property:

• Vapor Pressure: 2.31E-06mmHg at 25°C
• Melting Point: 42ºC
• Refractive Index: 1.542
• Boiling Point: 392.3 °C at 760 mmHg
• PKA: -1.91±0.50(Predicted)
• Flash Point: 191.1 °C
• PSA: 94.88000
• Density: 1.448 g/cm³
• LogP: 5.02340
• Storage Temp.: 0-6°C
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 355.0546681
• Heavy Atom Count: 23
• Complexity: 403

Purity/Quality:

98% ^*data from raw suppliers

Fluchloralin ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN(CCCl)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
• Uses: Fluchloralin is used as a herbicide.

Technology Process of Fluchloralin

There total 2 articles about Fluchloralin 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:

4-chloro-3,5-dinitrobenzotrifluoride (393-75-9) + 1-propylaziridine (5536-98-1) → N-(2-chloroethyl)-2,6-dinitro-N-propyl-α,α,α-trifluoro-p-toluidine (33245-39-5)

Guidance literature:

Reference yield:

→ N-(2-chloroethyl)-2,6-dinitro-N-propyl-α,α,α-trifluoro-p-toluidine (33245-39-5)

Guidance literature:

entspr. Chlorbenzol, entspr. Amin;

upstream raw materials:

4-chloro-3,5-dinitrobenzotrifluoride

1-propylaziridine

Refernces