Deisopropylatrazine

Base Information

• Chemical Name: Deisopropylatrazine
• CAS No.: 1007-28-9
• Molecular Formula: C5H8 Cl N5
• Molecular Weight: 173.605
• Hs Code.: 2933699090
• European Community (EC) Number: 623-281-7
• NSC Number: 13909
• UNII: E8EGZ3S34H
• DSSTox Substance ID: DTXSID0037495
• Nikkaji Number: J1.756F
• Wikidata: Q22330219
• Metabolomics Workbench ID: 51301
• ChEMBL ID: CHEMBL1895845
• Mol file: 1007-28-9.mol

Synonyms:2-CEAT;2-chloro-4-(ethylamino)-6-amino-s-triazine;6-deisopropylatrazine

Chemical Property of Deisopropylatrazine

Chemical Property:

• Vapor Pressure: 1.56E-06mmHg at 25°C
• Melting Point: 177-179 °C
• Refractive Index: 1.6110 (estimate)
• Boiling Point: 397.6oC at 760 mmHg
• PKA: 3.85±0.10(Predicted)
• Flash Point: 11℃
• PSA: 76.72000
• Density: 1.455g/cm3
• LogP: 1.19320
• Storage Temp.: APPROX 4°C
• Solubility.: DMSO (Slightly), Methanol (Slightly, Sonicated)
• Water Solubility.: 174.7mg/L(2 oC)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 173.0468230
• Heavy Atom Count: 11
• Complexity: 121

Purity/Quality:

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

DesisopropylAtrazine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCNC1=NC(=NC(=N1)N)Cl
• Uses: A metabolite of Atrazine (ATR) (A794600).

Technology Process of Deisopropylatrazine

There total 20 articles about Deisopropylatrazine 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:

Simazine (122-34-9) → 2-Chloro-4,6-diamino-1,3,5-triazine (3397-62-4) + Deisopropylatrazine (1007-28-9)

Guidance literature:

With titanium(IV) oxide; In water; for 0.25h; pH=6; UV-irradiation;

DOI:10.1016/j.chemosphere.2019.01.127

Reference yield:

terbuthylazine (5915-41-3,63026-57-3) → 2-Chloro-4,6-diamino-1,3,5-triazine (3397-62-4) + deethylterbuthylazine (30125-63-4) + 2-chloro-4-acetamido-6-tert-butylamino-1,3,5-triazine + Deisopropylatrazine (1007-28-9)

Guidance literature:

With dihydrogen peroxide; In water; at 25 ℃; Quantum yield; UV-irradiation;

DOI:10.1016/0045-6535(96)00176-2

upstream raw materials:

4,6-dichloro-1,3,5-triazin-2-amine

ethylamine

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

terbuthylazine

Downstream raw materials:

desbutyl-desthiomethyl-terbutryn

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

Deisopropylhydroxyatrazine

Refernces

• 1、 Sanlaville,Guittonneau,Mansour,Feicht,Meallier,Kettrup. "Photosensitized degradation of terbuthylazine in water". . p. 353 - 362. Retrieved 1996.
• 2、 Gotardo, Maria C. A. F.,De Moraes, Luiz A. B.,Assis, Marilda D.. "Metalloporphyrins as biomimetic models for cytochrome P-450 in the oxidation of atrazine". . p. 10011 - 10018. Retrieved 2006.
• 3、 Yu, Lian,Yang, Xiaofang,Ye, Yushi,Wang, Dongsheng. "Efficient removal of atrazine in water with a Fe3O4/MWCNTs nanocomposite as a heterogeneous Fenton-like catalyst". . p. 46059 - 46066. Retrieved 2015.
• 4、 Wang, Daojing,Shin, Jin Y.,Cheney, Marcos A.,Sposito, Garrison,Spiro, Thomas G.. "Manganese dioxide as a catalyst for oxygen-independent atrazine dealkylation". . p. 3160 - 3165. Retrieved 1999.