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Name |
4-([1,2,3]Triazol-1-yl)benzaldehyde |
EINECS | 604-604-1 |
CAS No. | 41498-10-6 | Density | 1.256 g/cm3 |
PSA | 47.78000 | LogP | 1.07980 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H7N3O | Boiling Point | 356.824 °C at 760 mmHg |
Molecular Weight | 173.174 | Flash Point | 169.601 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1H-1,2,3-Triazole,benzaldehyde deriv.;4-(1H-1,2,3-Triazol-1-yl)benzaldehyde; |
Article Data | 6 |
The Benzaldehyde,4-(1H-1,2,3-triazol-1-yl)-, with the CAS registry number 41498-10-6, is also known as 4-[1,2,3]Triazol-1-yl-benzaldehyde. This chemical's molecular formula is C9H7N3O and molecular weight is 173.1714. Its systematic name is called 4-(1H-1,2,3-triazol-1-yl)benzaldehyde.
Physical properties of Benzaldehyde,4-(1H-1,2,3-triazol-1-yl)-: (1)ACD/LogP: 0.99; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 5; (5)ACD/BCF (pH 7.4): 5; (6)ACD/KOC (pH 5.5): 110; (7)ACD/KOC (pH 7.4): 110; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.643; (11)Molar Refractivity: 49.838 cm3; (12)Molar Volume: 137.891 cm3; (13)Surface Tension: 52.715 dyne/cm; (14)Density: 1.256 g/cm3; (15)Flash Point: 169.601 °C; (16)Enthalpy of Vaporization: 60.213 kJ/mol; (17)Boiling Point: 356.824 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccc(cc1)n2nncc2
(2)InChI: InChI=1/C9H7N3O/c13-7-8-1-3-9(4-2-8)12-6-5-10-11-12/h1-7H
(3)InChIKey: CUKGVKDSSJVBFD-UHFFFAOYAA