Deethylatrazine

Base Information

• Chemical Name: Deethylatrazine
• CAS No.: 6190-65-4
• Molecular Formula: C6H10ClN5
• Molecular Weight: 187.632
• Hs Code.: 2933698090
• European Community (EC) Number: 622-793-8
• UNII: 07PV14BK6X
• DSSTox Substance ID: DTXSID5037494
• Nikkaji Number: J285.118K
• Wikidata: Q22330060
• Metabolomics Workbench ID: 45957
• ChEMBL ID: CHEMBL3184909
• Mol file: 6190-65-4.mol

Synonyms:2-chloro-4-amino-6-(isopropylamino)-s-triazine;2-CIAT;4-deethylatrazine

Chemical Property of Deethylatrazine

Chemical Property:

• Appearance/Colour: White powder
• Vapor Pressure: 2.82E-06mmHg at 25°C
• Melting Point: 134-136 °C
• Refractive Index: 1.63
• Boiling Point: 389.6 °C at 760 mmHg
• PKA: 3.79±0.10(Predicted)
• Flash Point: 189.4 °C
• PSA: 76.72000
• Density: 1.377 g/cm³
• LogP: 1.58170
• Storage Temp.: APPROX 4°C
• Water Solubility.: 375.3mg/L(2 oC)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 187.0624730
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

97% ^*data from raw suppliers

Deethylatrazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,F,T,Xn
• Hazard Codes: Xi,T,F,Xn
• Statements: 11-20/22-40-43-39/23/24/25-23/24/25-36
• Safety Statements: 16-26-36-45-36/37-7

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Herbicides, Triazine
• Canonical SMILES: CC(C)NC1=NC(=NC(=N1)N)Cl

Technology Process of Deethylatrazine

There total 9 articles about Deethylatrazine 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:

6-chloro-N-ethyl-N'-isopropyl-1,3,5-triazine-2,4-diamine (1912-24-9,93616-39-8) → 2-Chloro-4,6-diamino-1,3,5-triazine (3397-62-4) + Deethylatrazine (6190-65-4) + Deisopropylatrazine (1007-28-9)

Guidance literature:

manganese(IV) oxide; In diethyl ether; at 30 ℃; for 72h; Further Variations:; Reagents; Temperatures; Product distribution;

DOI:10.1021/es990419t

Reference yield:

6-chloro-N-ethyl-N'-isopropyl-1,3,5-triazine-2,4-diamine (1912-24-9,93616-39-8) → 2-Chloro-4,6-diamino-1,3,5-triazine (3397-62-4) + Deisopropylhydroxyatrazine (7313-54-4) + Deethylatrazine (6190-65-4) + Hydroxyatrazine (2163-68-0) + 2-amino-4-hydroxy-6-(isopropylamino)-s-triazine + Deisopropylatrazine (1007-28-9)

Guidance literature:

With titanium(IV) oxide; In perchloric acid; water; Mechanism; Irradiation; other reagent;

DOI:10.1016/S0040-4020(98)01150-8

Reference yield:

6-chloro-N-ethyl-N'-isopropyl-1,3,5-triazine-2,4-diamine (1912-24-9,93616-39-8) → isocyanuric acid (108-80-5) + Deethylatrazine (6190-65-4) + Hydroxyatrazine (2163-68-0) + Deisopropylatrazine (1007-28-9)

Guidance literature:

With hydroxide; In water; at 200 ℃; under 45003.6 Torr; pH=5 - 6; Kinetics;

DOI:10.1016/S0045-6535(03)00701-X

upstream raw materials:

6-chloro-N-ethyl-N'-isopropyl-1,3,5-triazine-2,4-diamine

Downstream raw materials:

2-Chloro-4,6-diamino-1,3,5-triazine

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