2,4-dichloro-1,3,5-triazine

• ChemBase ID: 29880
• Molecular Formular: C3HCl2N3
• Molecular Mass: 149.96614
• Monoisotopic Mass: 148.95475241
• SMILES: n1cnc(nc1Cl)Cl
• Canonical SMILES: Clc1ncnc(n1)Cl
• InChI: InChI=1S/C3HCl2N3/c4-2-6-1-7-3(5)8-2/h1H
• InChIKey: OMRXVBREYFZQHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-1,3,5-triazine
• IUPAC Traditional name: 2,4-dichloro-1,3,5-triazine
• Synonyms: 2,4-Dichloro-1,3,5-triazine

Database IDs

• CAS Number: 2831-66-5
• MDL Number: MFCD04115347
• PubChem SID: 160993187
• PubChem CID: 17810

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6728327
• LogD (pH = 7.4): 1.6728327
• Log P: 1.6728327
• Molar Refractivity: 33.5188 cm^3
• Polarizability: 11.872467 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 50-56°C

Safety Information

• Storage Warning: IRRITANT; Irritant/Store at -20°C
• TSCA Listed: false

Product Information

• Purity: 97%