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Molecular Structure of pyrimidine, 2,4-dimethoxy- (CAS NO.3551-55-1):
IUPAC Name: 2,4-dimethoxypyrimidine
Empirical Formula: C6H8N2O2
Molecular Weight: 140.1399
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 44.24Å2
Index of Refraction: 1.489
Molar Refractivity: 35.79 cm3
Molar Volume: 123.8 cm3
Surface Tension: 38.6 dyne/cm
Density: 1.131 g/cm3
Flash Point: 88.2 °C
Enthalpy of Vaporization: 45.92 kJ/mol
Boiling Point: 241.6 °C at 760 mmHg
Vapour Pressure: 0.0552 mmHg at 25°C
Storage temp: 2-8°C
Melting point: 17°C
InChI
InChI=1/C6H8N2O2/c1-9-5-3-4-7-6(8-5)10-2/h3-4H,1-2H3
Smiles
n1c(nccc1OC)OC
Product Categories: Pyrimidine; APIs & Intermediate; Pyridines, Pyrimidines, Purines and Pteredines; Building Blocks; Heterocyclic Building Blocks; Pyrimidines
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 23-24/25-36/37-26
S23:Do not breathe vapour.
S24/25:Avoid contact with skin and eyes.
S36/37:Wear suitable protective clothing and gloves.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
pyrimidine, 2,4-dimethoxy- , with CAS number of 3551-55-1, can be called 2,4-Dimethoxypyrimidin ; 2,4-Dimethoxypyrimidine .