2-(3,4-Dimethoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine

Base Information

• Chemical Name: 2-(3,4-Dimethoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
• CAS No.: 80050-87-9
• Molecular Formula: C13H9 Cl6 N3 O2
• Molecular Weight: 451.951
• European Community (EC) Number: 279-382-8
• DSSTox Substance ID: DTXSID801000944
• Nikkaji Number: J320.225I
• Mol file: 80050-87-9.mol

Synonyms:80050-87-9;2-(3,4-Dimethoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;1-(3',4'-DIMETHOXY PHENYL)-3,5-BIS-TRICHLORO-METHYL SYM TRIAZINE;EINECS 279-382-8;SCHEMBL25960;DTXSID801000944;NS00061783

Chemical Property of 2-(3,4-Dimethoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 487.3°Cat760mmHg
• PKA: -2.18±0.10(Predicted)
• Flash Point: 248.5°C
• PSA: 28.18000
• Density: 1.585g/cm³
• LogP: 4.59650
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 450.879643
• Heavy Atom Count: 24
• Complexity: 398

Purity/Quality:

98%, ^*data from raw suppliers

1-(3',4'-DIMETHOXY PHENYL)-3,5-BIS-TRICHLORO-METHYL SYM TRIAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)OC