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Basic Information
CAS No.: 233-59-0
Name: 2H-naphtho[1,2-d][1,2,3]triazole
Article Data: 11
Molecular Structure:
Molecular Structure of 233-59-0 (2H-naphtho[1,2-d][1,2,3]triazole)
Formula: C10H7N3
Molecular Weight: 169.186
Synonyms: 1,2-Naphthotriazole;1H-Naphtho[1,2-d]-1,2,3-triazole;3H-Naphtho[1,2-d]triazole;NSC 65662;
Density: 1.381 g/cm3
Boiling Point: 392.8 °C at 760 mmHg
Flash Point: 193.2 °C
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Specification

The 1H-Naphtho[1,2-d]triazole, with the CAS registry number 233-59-0, is also known as 3H-Naphtho[1,2-d]-1,2,3-triazole. This chemical's molecular formula is C10H7N3 and molecular weight is 169.1827. Its systematic name is called 2H-naphtho[1,2-d][1,2,3]triazole.

Physical properties of 1H-Naphtho[1,2-d]triazole: (1)ACD/LogP: 2.37; (2)ACD/LogD (pH 5.5): 2.37; (3)ACD/LogD (pH 7.4): 2.33; (4)ACD/BCF (pH 5.5): 37.45; (5)ACD/BCF (pH 7.4): 33.98; (6)ACD/KOC (pH 5.5): 465.3; (7)ACD/KOC (pH 7.4): 422.23; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Index of Refraction: 1.804; (11)Molar Refractivity: 52.55 cm3; (12)Molar Volume: 122.4 cm3; (13)Surface Tension: 77.1 dyne/cm; (14)Density: 1.381 g/cm3; (15)Flash Point: 193.2 °C; (16)Enthalpy of Vaporization: 64.26 kJ/mol; (17)Boiling Point: 392.8 °C at 760 mmHg; (18)Vapour Pressure: 2.23E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c2c3c(ccc2nn1)cccc3
(2)InChI: InChI=1/C10H7N3/c1-2-4-8-7(3-1)5-6-9-10(8)12-13-11-9/h1-6H,(H,11,12,13)
(3)InChIKey: YTZPUTADNGREHA-UHFFFAOYAZ