2,4-Dichloro-6-ethyl-1,3,5-triazine

Base Information

• Chemical Name: 2,4-Dichloro-6-ethyl-1,3,5-triazine
• CAS No.: 698-72-6
• Molecular Formula: C5H5 Cl2 N3
• Molecular Weight: 178.021
• Hs Code.: 2933699090
• NSC Number: 46519
• DSSTox Substance ID: DTXSID30274515
• Nikkaji Number: J1.551.509K
• Wikidata: Q82003873
• Mol file: 698-72-6.mol

Synonyms:2,4-dichloro-6-ethyl-1,3,5-triazine;698-72-6;NSC46519;SCHEMBL1317017;DTXSID30274515;MFCD15203623;NSC 46519;NSC-46519;AKOS006333574;SB73277;BS-51097;2,4-Dichloro-6-ethyl-1,3,5,-triazine;E79885;EN300-4254288;A918035;Z1201628137

Chemical Property of 2,4-Dichloro-6-ethyl-1,3,5-triazine

Chemical Property:

• Vapor Pressure: 0.000116mmHg at 25°C
• Boiling Point: 346.3°C at 760 mmHg
• Flash Point: 194.1°C
• PSA: 38.67000
• Density: 1.414g/cm³
• LogP: 1.74080
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 176.9860526
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

97% ^*data from raw suppliers

2,4-dichloro-6-ethyl-1,3,5-triazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=NC(=NC(=N1)Cl)Cl

Technology Process of 2,4-Dichloro-6-ethyl-1,3,5-triazine

There total 4 articles about 2,4-Dichloro-6-ethyl-1,3,5-triazine 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) + ethylmagnesium bromide (925-90-6) → 2,4-dichloro-6-ethyl-1,3,5-triazine (698-72-6)

Guidance literature:

1,3,5-trichloro-2,4,6-triazine; ethylmagnesium bromide; In diethyl ether; dichloromethane; at -10 - -5 ℃; Inert atmosphere;

With water; In diethyl ether; dichloromethane; at 10 ℃;

Reference yield:

ethyl bromide (74-96-4) + 1,3,5-trichloro-2,4,6-triazine (108-77-0) + ethylmagnesium bromide (925-90-6) → 2,4-dichloro-6-ethyl-1,3,5-triazine (698-72-6)

Guidance literature:

With hydrogenchloride; magnesium; In diethyl ether; toluene;

Reference yield:

1,3,5-trichloro-2,4,6-triazine (108-77-0) + ethylmagnesium chloride (2386-64-3) → 2,4-dichloro-6-ethyl-1,3,5-triazine (698-72-6)

Guidance literature:

In tetrahydrofuran; diethyl ether; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.tet.2009.07.026

upstream raw materials:

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

ethylmagnesium bromide

ethyl bromide

ethylmagnesium chloride

Downstream raw materials:

2-ethyl-4,6-bis(cyclohexylamino)-1,3,5-triazine

Refernces

• 1、 Kitamura, Masanori,Komine, Sayaka,Kunishima, Munetaka,Yamada, Kohei. "Trizaine-based dehydrative condensation reagents bearing carbon-substituents". . . Retrieved 2020/02/22.
• 2、 -. "TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS". Page/Page column 74. . Retrieved 2010/12/29.