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CAS No.: | 130161-46-5 |
---|---|
Name: | 2-Phenylpyrimidine-5-carboxaldehyde |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C11H8N2O |
Molecular Weight: | 184.197 |
Synonyms: | 2-Phenyl-5-pyrimidinecarboxaldehyde; |
Density: | 1.205g/cm3 |
Melting Point: | 132.5-134°C |
Boiling Point: | 244 °C at 760 mmHg |
Flash Point: | 104.7 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-36 |
Safety: | 26 |
PSA: | 42.85000 |
LogP: | 1.95610 |
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The 2-Phenylpyrimidine-5-carboxaldehyde, with CAS registry number 130161-46-5, has the systematic name of 2-phenylpyrimidine-5-carbaldehyde. And its IUPAC name is the same one. Besides this, it is also called 5-pyrimidinecarboxaldehyde, 2-phenyl-. And the chemical formula of this chemical is C11H8N2O.
Physical properties of 2-Phenylpyrimidine-5-carboxaldehyde: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 42.85 Å2; (7)Index of Refraction: 1.621; (8)Molar Refractivity: 53.78 cm3; (9)Molar Volume: 152.8 cm3; (10)Polarizability: 21.32×10-24cm3; (11)Surface Tension: 53.8 dyne/cm; (12)Enthalpy of Vaporization: 48.11 kJ/mol; (13)Vapour Pressure: 0.0311 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cnc(nc1)c2ccccc2
(2)InChI: InChI=1/C11H8N2O/c14-8-9-6-12-11(13-7-9)10-4-2-1-3-5-10/h1-8H
(3)InChIKey: AUTGLFSBJLERMV-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C11H8N2O/c14-8-9-6-12-11(13-7-9)10-4-2-1-3-5-10/h1-8H
(5)Std. InChIKey: AUTGLFSBJLERMV-UHFFFAOYSA-N