Nitralin

Base Information

• Chemical Name: Nitralin
• CAS No.: 4726-14-1
• Molecular Formula: C13H19 N3 O6 S
• Molecular Weight: 345.376
• European Community (EC) Number: 225-219-0
• UN Number: 3077
• UNII: 697W0VS4HQ
• DSSTox Substance ID: DTXSID9042203
• Nikkaji Number: J3.067H
• Wikidata: Q22808472
• ChEMBL ID: CHEMBL1256763
• Mol file: 4726-14-1.mol

Synonyms:4-(methylsulfonyl)-2,6-dinitro-N,N-dipropylaniline;DNA-nitralin;nitralin;Planavin

Chemical Property of Nitralin

Chemical Property:

• Vapor Pressure: 2.08E-10mmHg at 25°C
• Melting Point: 151-152℃
• Refractive Index: 1.6390 (estimate)
• Boiling Point: 507.2°Cat760mmHg
• PKA: -3.17±0.50(Predicted)
• Flash Point: 260.5°C
• PSA: 137.40000
• Density: 1.333g/cm³
• LogP: 4.66010
• Storage Temp.: 0-6°C
• Water Solubility.: 0.6mg/L(25 oC)
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 345.09945651
• Heavy Atom Count: 23
• Complexity: 491
• Transport DOT Label: Class 9

Purity/Quality:

98%Min ^*data from raw suppliers

Nitralin ^*data from reagent suppliers

Safty Information:

• Hazard Codes: N,Xn
• Statements: 50-22
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Herbicides, Nitroaromatic
• Canonical SMILES: CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]
• Uses: Herbicide.

Technology Process of Nitralin

There total 1 articles about Nitralin 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:

→ nitralin (4726-14-1)

Guidance literature:

Tosylat VIIIb, (CH3CH2CH2)2NH, EtOH, Rueckfluss;

Refernces

• 1、 -. "Plant-protective pesticidal composition". . . Retrieved 2008/06/13.
• 2、 -. "Plant-protective and pest-control agent". . . Retrieved 2008/06/13.