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CAS No.: | 88427-96-7 |
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Name: | 4-(2-METHYL-IMIDAZOL-1-YL)-BENZALDEHYDE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C11H10N2O |
Molecular Weight: | 186.213 |
Synonyms: | p-(2-Methyl-1-imidazolyl)benzaldehyde; |
Density: | 1.13g/cm3 |
Boiling Point: | 374.9 °C at 760 mmHg |
Flash Point: | 180.6 °C |
Hazard Symbols: | Xi |
Risk Codes: | 22-36 |
Safety: | 26 |
PSA: | 34.89000 |
LogP: | 1.99320 |
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The Benzaldehyde,4-(2-methyl-1H-imidazol-1-yl)-, with CAS registry number 88427-96-7, has the systematic name of 4-(2-methyl-1H-imidazol-1-yl)benzaldehyde. Besides this, it is also called p-(2-Methyl-1-imidazolyl)benzaldehyde. And the chemical formula of this chemical is C11H10N2O.
Physical properties of Benzaldehyde,4-(2-methyl-1H-imidazol-1-yl)-: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.95; (4)ACD/LogD (pH 7.4): 1.63; (5)ACD/BCF (pH 5.5): 2.09; (6)ACD/BCF (pH 7.4): 10.13; (7)ACD/KOC (pH 5.5): 37.13; (8)ACD/KOC (pH 7.4): 179.97; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.89 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 55.81 cm3; (15)Molar Volume: 164.5 cm3; (16)Polarizability: 22.12×10-24cm3; (17)Surface Tension: 43 dyne/cm; (18)Density: 1.13 g/cm3; (19)Flash Point: 180.6 °C; (20)Enthalpy of Vaporization: 62.24 kJ/mol; (21)Boiling Point: 374.9 °C at 760 mmHg; (22)Vapour Pressure: 8.05E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2ccc(n1ccnc1C)cc2
(2)InChI: InChI=1/C11H10N2O/c1-9-12-6-7-13(9)11-4-2-10(8-14)3-5-11/h2-8H,1H3
(3)InChIKey: DKYJGBSRSBDUAL-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C11H10N2O/c1-9-12-6-7-13(9)11-4-2-10(8-14)3-5-11/h2-8H,1H3
(5)Std. InChIKey: DKYJGBSRSBDUAL-UHFFFAOYSA-N