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CAS No.: | 433920-97-9 |
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Name: | 4-(5-NITRO-2-PYRIDINYL)BENZENECARBALDEHYDE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C12H8N2O3 |
Molecular Weight: | 228.207 |
Synonyms: | 4-(5-Nitropyridin-2-yl)benzaldehyde; |
EINECS: | 604-604-1 |
Density: | 1.331 g/cm3 |
Melting Point: | 180-182 °C |
Boiling Point: | 410 °C at 760 mmHg |
Flash Point: | 201.8 °C |
Hazard Symbols: | Xi |
PSA: | 75.78000 |
LogP: | 2.99250 |
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The CAS registry number of Benzaldehyde,4-(5-nitro-2-pyridinyl)- is 433920-97-9. This chemical's molecular formula is C12H8N2O3 and molecular weight is 228.2035. What's more, both its IUPAC name and systematic name are the same which is called 4-(5-Nitropyridin-2-yl)benzaldehyde.
Physical properties about Benzaldehyde,4-(5-nitro-2-pyridinyl)- are: (1) ACD/LogP: 2.21; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.21; (4) ACD/LogD (pH 7.4): 2.21; (5) ACD/BCF (pH 5.5): 28; (6) ACD/BCF (pH 7.4): 28; (7) ACD/KOC (pH 5.5): 378; (8) ACD/KOC (pH 7.4): 378.01; (9) #H bond acceptors: 5; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 75.78 Å2; (13) Index of Refraction: 1.646; (14) Molar Refractivity: 62.23 cm3; (15)Molar Volume: 171.4 cm3; (16) Polarizability: 24.67×10-24 cm3; (17) Surface Tension: 59 dyne/cm; (18) Density: 1.331 g/cm3; (19) Flash Point: 201.8 °C; (20) Enthalpy of Vaporization: 66.22 kJ/mol; (21) Boiling Point: 410 °C at 760 mmHg; (22) Vapour Pressure: 6.23E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c2cnc(c1ccc(C=O)cc1)cc2
(2) InChI: InChI=1/C12H8N2O3/c15-8-9-1-3-10(4-2-9)12-6-5-11(7-13-12)14(16)17/h1-8H
(3) InChIKey: YIRZRDALQHIURV-UHFFFAOYAN