2,4-dichloro-6-propoxy-1,3,5-triazine

• ChemBase ID: 302054
• Molecular Formular: C6H7Cl2N3O
• Molecular Mass: 208.04528
• Monoisotopic Mass: 206.99661722
• SMILES: CCCOc1nc(nc(n1)Cl)Cl
• Canonical SMILES: CCCOc1nc(Cl)nc(n1)Cl
• InChI: InChI=1S/C6H7Cl2N3O/c1-2-3-12-6-10-4(7)9-5(8)11-6/h2-3H2,1H3
• InChIKey: SVHHRUHQFRFOIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-6-propoxy-1,3,5-triazine
• IUPAC Traditional name: 2,4-dichloro-6-propoxy-1,3,5-triazine
• Synonyms: n-Propoxydichloro-s-triazine; 2,4-Dichloro-6-n-propoxy-1,3,5-triazine; 2,4-二氯-6-正-丙氧基-1,3,5-三嗪

Database IDs

• CAS Number: 26650-75-9
• EC Number: 247-875-7
• MDL Number: MFCD00051827
• Beilstein Number: 151061

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0732777
• LogD (pH = 7.4): 3.0732777
• Log P: 3.0732777
• Molar Refractivity: 49.2006 cm^3
• Polarizability: 18.055489 Å^3
• Polar Surface Area: 47.9 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >110°C(230°F)
• Refractive Index: 1.5135

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3265
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P280-P305+P351+P338-P309-P310

Product Information

• Purity: 97%