2,4-dimethoxypyrimidine

• ChemBase ID: 68741
• Molecular Formular: C6H8N2O2
• Molecular Mass: 140.13992
• Monoisotopic Mass: 140.05857751
• SMILES: c1(nc(ccn1)OC)OC
• Canonical SMILES: COc1ccnc(n1)OC
• InChI: InChI=1S/C6H8N2O2/c1-9-5-3-4-7-6(8-5)10-2/h3-4H,1-2H3
• InChIKey: KEVRHVMWBKFGLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethoxypyrimidine
• IUPAC Traditional name: 2,4-dimethoxypyrimidine
• Synonyms: 2,4-Dimethoxypyrimidine; 2,4-Dimethoxypyrimidine; 2,4-二甲氧基嘧啶

Database IDs

• CAS Number: 3551-55-1
• MDL Number: MFCD00056028
• PubChem SID: 162034471; 24882718
• PubChem CID: 137976

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0073063
• LogD (pH = 7.4): 1.0076324
• Log P: 1.0076364
• Molar Refractivity: 35.9082 cm^3
• Polarizability: 13.6303 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 160-164°C; 17°C
• Boiling Point: 204-205 °C(lit.); 204-205°C
• Flash Point: 197.6 - 199.4 °F; 92 - 93 °C; 93°C(199°F)
• Density: 1.1501; 1.1501 g/mL at 25 °C(lit.)
• Refractive Index: 1.502; n20/D 1.502(lit.)

Safety Information

• Storage Condition: 2-8°C
• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: 95+%; 97%; 98%; 98+%
• Empirical Formula (Hill Notation): C6H8N2O2

DETAILS

MP Biomedicals - 02157781

Purity: 98%

Sigma Aldrich - 635162

Packaging
5 g in glass bottle