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Name |
2-Bromo-4-methoxy-pyrimidine |
EINECS | N/A |
CAS No. | 944709-74-4 | Density | 1.628 g/cm3 |
PSA | 35.01000 | LogP | 1.24770 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H5BrN2O | Boiling Point | 293.7 °C at 760 mmHg |
Molecular Weight | 189.012 | Flash Point | 131.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-bromo-4-methoxypyrimidine |
The 2-Bromo-4-methoxy-pyrimidine is an organic compound with the formula C5H5BrN2O. The systematic name of this chemical is 2-bromo-4-methoxy-pyrimidine. With the CAS registry number 944709-74-4, it is also named as 2-Bromo-6-methoxypyrimidine.
Physical properties about 2-Bromo-4-methoxy-pyrimidine are: (1)ACD/LogP: 0.42; (2)ACD/LogD (pH 5.5): 0.42; (3)ACD/LogD (pH 7.4): 0.42; (4)#H bond acceptors: 3; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 35.01 Å2; (7)Index of Refraction: 1.546; (8)Molar Refractivity: 36.8 cm3; (9)Molar Volume: 116 cm3; (10)Polarizability: 14.59×10-24cm3; (11)Surface Tension: 46.2 dyne/cm; (12)Density: 1.628 g/cm3; (13)Flash Point: 131.4 °C; (14)Enthalpy of Vaporization: 51.19 kJ/mol; (15)Boiling Point: 293.7 °C at 760 mmHg; (16)Vapour Pressure: 0.00298 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccnc(Br)n1
(2)InChI: InChI=1/C5H5BrN2O/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3
(3)InChIKey: OHOBULDCIMBMDH-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C5H5BrN2O/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3
(5)Std. InChIKey: OHOBULDCIMBMDH-UHFFFAOYSA-N