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41498-10-6

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Basic Information
CAS No.: 41498-10-6
Name: 4-[1,2,3]TRIAZOL-1-YL-BENZALDEHYDE
Article Data: 6
Molecular Structure:
Molecular Structure of 41498-10-6 (4-[1,2,3]TRIAZOL-1-YL-BENZALDEHYDE)
Formula: C9H7N3O
Molecular Weight: 173.174
Synonyms: 1H-1,2,3-Triazole,benzaldehyde deriv.;4-(1H-1,2,3-Triazol-1-yl)benzaldehyde;
EINECS: 604-604-1
Density: 1.256 g/cm3
Boiling Point: 356.824 °C at 760 mmHg
Flash Point: 169.601 °C
PSA: 47.78000
LogP: 1.07980
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Specification

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