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

Base Information

• Chemical Name: N-benzyl-4,6-dichloro-1,3,5-triazin-2-amine
• CAS No.: 30369-82-5
• Molecular Formula: C10H8Cl2N4
• Molecular Weight: 255.106
• Hs Code.: 2933699090
• DSSTox Substance ID: DTXSID50275281
• Nikkaji Number: J726.924B
• Wikidata: Q82005002
• Mol file: 30369-82-5.mol

Synonyms:N-benzyl-4,6-dichloro-1,3,5-triazin-2-amine;30369-82-5;CHEMBRDG-BB 5106991;Oprea1_073383;Oprea1_089854;CBDivE_014700;SCHEMBL1562297;DTXSID50275281;HMS1577E22;MFCD00452915;AKOS000617930;SB73499;BS-35912;N-Benzyl-4,6-dichloro-s-triazine-2-amine;CS-0333239

Chemical Property of N-benzyl-4,6-dichloro-1,3,5-triazin-2-amine

Chemical Property:

• Vapor Pressure: 6.61E-09mmHg at 25°C
• Melting Point: 116.3-117.8 °C(Solv: ligroine (8032-32-4))
• Refractive Index: 1.666
• Boiling Point: 467.3 °C at 760 mmHg
• PKA: 0.98±0.10(Predicted)
• Flash Point: 236.4 °C
• PSA: 50.70000
• Density: 1.473 g/cm³
• LogP: 2.86350
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 254.0126017
• Heavy Atom Count: 16
• Complexity: 201

Purity/Quality:

99% ^*data from raw suppliers

N-BENZYL-4,6-DICHLORO-1,3,5-TRIAZIN-2-AMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC2=NC(=NC(=N2)Cl)Cl

Technology Process of N-benzyl-4,6-dichloro-1,3,5-triazin-2-amine

There total 2 articles about N-benzyl-4,6-dichloro-1,3,5-triazin-2-amine 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: 88.0%

1,3,5-trichloro-2,4,6-triazine (108-77-0) + benzylamine (100-46-9) → benzyl-(4,6-dichloro-[1,3,5]triazin-2-yl)amine (30369-82-5)

Guidance literature:

With sodium hydrogencarbonate; In water; acetone; at 0 - 5 ℃;

DOI:10.1016/j.molstruc.2017.05.040

Reference yield: 78.0%

→ benzyl-(4,6-dichloro-[1,3,5]triazin-2-yl)amine (30369-82-5)

Guidance literature:

Reference yield: 92.0%

benzyl-(4,6-dichloro-[1,3,5]triazin-2-yl)amine (30369-82-5) → N-benzyl-4,6-dihydrazinyl-1,3,5-triazin-2-amine

Guidance literature:

With hydrazine; In ethanol; at 60 ℃; for 1h; Sonication;

DOI:10.1016/j.molstruc.2017.05.040

upstream raw materials:

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

benzylamine

Downstream raw materials:

benzyl-(bis-aziridin-1-yl-[1,3,5]triazin-2-yl)-amine

N-Benzyl-6-chloro-N'-ethyl-[1,3,5]triazine-2,4-diamine

N-benzyl-6-chloro-[1,3,5]triazine-2,4-diamine

dimethyl 11,11'-{[6-(benzylamino)-1,3,5-triazine-2,4-diyl]diimino}diundecanoate