5-Fluoro-2,4-dimethoxy-pyrimidine supplier

Name
2,4-DIMETHOXY-5-FLUOROPYRIMIDINE
EINECS
CAS No. 4330-22-7
Density 1.234 g/cm³
Solubility
Melting Point
Formula C₆H₇FN₂O₂
Boiling Point 252.9 °C at 760 mmHg
Molecular Weight 158.132
Flash Point 106.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,4-DIMETHOXY-5-FLUOROPYRIMIDINE;5-Fluoro-2,4-dimethoxypyrimidine
PSA 44.24000
LogP 0.63290

5-Fluoro-2,4-dimethoxy-pyrimidine Specification

The IUPAC name of this chemical is 5-fluoro-2,4-dimethoxypyrimidine. With the CAS registry number 4330-22-7, it is also named as Pyrimidine, 5-fluoro-2,4-dimethoxy-. The formula is C₆H₇FN₂O₂and molecular weight is 158.13.

The other characteristics of 5-Fluoro-2,4-dimethoxy-pyrimidine can be summarized as: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2 ; (6)Index of Refraction: 1.47; (7)Molar Refractivity: 35.78 cm³; (8)Molar Volume: 128 cm³; (9)Polarizability: 14.18×10^-24 cm³; (10)Surface Tension: 37 dyne/cm; (11)Enthalpy of Vaporization: 47.05 kJ/mol; (12)Boiling Point: 252.9 °C at 760 mmHg; (13)Vapour Pressure: 0.03 mmHg at 25°C; (14)Rotatable Bond Count: 2; (15)Exact Mass: 158.049156; (16)MonoIsotopic Mass: 158.049156; (17)Topological Polar Surface Area: 44.2; (18)Heavy Atom Count: 11; (19)Complexity: 125.

Preparation of 5-Fluoro-2,4-dimethoxy-pyrimidine: It can be obtained by 5,5'-Mercuri-bis-(2,4-dimethoxypyrimidine). This reaction needs reagent liq. sulfur tetrafluoride at temperature of -60 °C. The reaction time is 48 hours. The yield is 32.6%.

People can use the following data to convert to the molecule structure.
1. SMILES:Fc1cnc(OC)nc1OC
2. InChI:InChI=1/C6H7FN2O2/c1-10-5-4(7)3-8-6(9-5)11-2/h3H,1-2H3
3. InChIKey:UVMHPMWNQRWMCB-UHFFFAOYAB

Product Name

2,4-DIMETHOXY-5-FLUOROPYRIMIDINE

5-Fluoro-2,4-dimethoxy-pyrimidine Specification

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