triphenyl-1,3,5-triazine

• ChemBase ID: 112782
• Molecular Formular: C21H15N3
• Molecular Mass: 309.3639
• Monoisotopic Mass: 309.1265975
• SMILES: c1ccc(cc1)c1nc(nc(n1)c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1nc(nc(n1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C21H15N3/c1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h1-15H
• InChIKey: HBQUOLGAXBYZGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triphenyl-1,3,5-triazine
• IUPAC Traditional name: triphenyl-1,3,5-triazine
• Synonyms: 2,4,6-TRIPHENYL-S-TRIAZINE; 2,4,6-triphenyl-1,3,5-triazine; 2,4,6-Triphenyl-1,3,5-triazine; 2,4,6-三苯基--1,3,5-三嗪; 2,4,6-三苯基-1,3,5-三嗪

Database IDs

• CAS Number: 493-77-6
• EC Number: 207-779-8
• MDL Number: MFCD00006051
• PubChem SID: 24855438; 162097562
• PubChem CID: 10305

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.9589796
• LogD (pH = 7.4): 6.958982
• Log P: 6.958982
• Molar Refractivity: 128.7549 cm^3
• Polarizability: 38.66475 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 232-235 °C(lit.); 234-235°C
• Partition Coefficient: 4.456

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95+%; 98%
• Empirical Formula (Hill Notation): C21H15N3

DETAILS

MP Biomedicals - 05225798

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 259810

Packaging
5 g in glass bottle