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

Base Information

• Chemical Name: 6-Chloro-1,3,5-triazine-2,4-diamine
• CAS No.: 3397-62-4
• Molecular Formula: C3H4ClN5
• Molecular Weight: 145.551
• Hs Code.: 29336980
• European Community (EC) Number: 222-260-6
• NSC Number: 680830,7965
• UNII: KVZ1HMR84L
• DSSTox Substance ID: DTXSID1037806
• Nikkaji Number: J80.717F
• Wikidata: Q27103287
• Metabolomics Workbench ID: 51432
• ChEMBL ID: CHEMBL1872965
• Mol file: 3397-62-4.mol

Synonyms:2-CAAT;2-chloro-4,6-diamino-s-triazine

Chemical Property of 6-Chloro-1,3,5-triazine-2,4-diamine

Chemical Property:

• Appearance/Colour: white to pale yellow crystalline powder
• Vapor Pressure: 1.14E-09mmHg at 25°C
• Melting Point: >320 °C(lit.)
• Refractive Index: 1.722
• Boiling Point: 487.9 °C at 760 mmHg
• PKA: 3.90±0.10(Predicted)
• Flash Point: 248.9 °C
• PSA: 90.71000
• Density: 1.7 g/cm³
• LogP: 0.85180
• Storage Temp.: APPROX 4°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 145.0155228
• Heavy Atom Count: 9
• Complexity: 88.2

Purity/Quality:

98%, ^*data from raw suppliers

DesethyldesisopropylAtrazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,T,F
• Hazard Codes: Xn,T,F
• Statements: 36/37/38-20/21/22-39/23/24/25-23/24/25-11
• Safety Statements: 22-24/25-45-36/37-16-7

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1(=NC(=NC(=N1)Cl)N)N
• Uses: Desethyldesisopropyl Atrazine is a metabolite of Atrazine (A794600). Atrazine-desethyl-desisopropyl may be used as an analytical reference standard for the quantification of the analyte in environmental samples using different chromatography techniques

Technology Process of 6-Chloro-1,3,5-triazine-2,4-diamine

There total 12 articles about 6-Chloro-1,3,5-triazine-2,4-diamine 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: 96.0%

1,3,5-trichloro-2,4,6-triazine (108-77-0) → 2-Chloro-4,6-diamino-1,3,5-triazine (3397-62-4)

Guidance literature:

With ammonium hydroxide; In 1,2-dichloro-ethane; at 3 - 42 ℃; for 6h; Temperature; Solvent;

Reference yield: 79.0%

→ 2-Chloro-4,6-diamino-1,3,5-triazine (3397-62-4)

Guidance literature:

Reference yield:

1,3,5-trichloro-2,4,6-triazine (108-77-0) → 4,6-dichloro-1,3,5-triazin-2-amine (933-20-0) + 2-Chloro-4,6-diamino-1,3,5-triazine (3397-62-4)

Guidance literature:

With ammonia; In diethyl ether; 0°C;

DOI:10.1021/jo01105a620

upstream raw materials:

1,3,5-trichloro-2,4,6-triazine

terbuthylazine

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

Deethylatrazine

Downstream raw materials:

2-Methoxy-4,6-diamino-s-triazin

melarsen

N²-(2,5-dichloro-phenyl)-[1,3,5]triazine-2,4,6-triyltriamine

[3-(4,6-diamino-[1,3,5]triazin-2-ylamino)-4-hydroxy-phenyl]-arsonic acid

Refernces

• 1、 -. "Safe and environment-friendly cyromazine synthesis method". Paragraph 0006; 0019-0028. . Retrieved 2021/03/18.
• 2、 -. "Preparation method of cyromazine". Paragraph 0023; 0025; 0027; 0029; 0031; 0033; 0035; 0037; 00. . Retrieved 2020/09/16.