2-chloro-4,6-diphenyl-1,3,5-triazine

• ChemBase ID: 288156
• Molecular Formular: C15H10ClN3
• Molecular Mass: 267.713
• Monoisotopic Mass: 267.05632502
• SMILES: Clc1nc(c2ccccc2)nc(c2ccccc2)n1
• Canonical SMILES: Clc1nc(nc(n1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H10ClN3/c16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-10H
• InChIKey: DDGPPAMADXTGTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4,6-diphenyl-1,3,5-triazine
• IUPAC Traditional name: 2-chloro-4,6-diphenyl-1,3,5-triazine
• Synonyms: 2-Chloro-4,6-diphenyl-1,3,5-triazine; 2-Chloro-4,6-diphenyl-1,3,5-triazine

Database IDs

• CAS Number: 3842-55-5
• MDL Number: MFCD05738885
• PubChem SID: 180673687
• PubChem CID: 19698

CALCULATED PROPERTIES

• LogD (pH = 5.5): 5.413817
• LogD (pH = 7.4): 5.413817
• Log P: 5.413817
• Molar Refractivity: 98.8424 cm^3
• Polarizability: 30.230005 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false
• H Acceptors: 3
• H Donor: 0

PROPERTIES

Physical Property

• Melting Point: 138-140°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%; 98%