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Name |
1H-Naphtho[1,8-de][1,2,3]triazine |
EINECS | N/A |
CAS No. | 204-03-5 | Density | 1.38 g/cm3 |
PSA | 41.57000 | LogP | 2.11110 |
Solubility | N/A | Melting Point |
258-262 °C (decomp) |
Formula | C10H7N3 | Boiling Point | 351.9 °C at 760 mmHg |
Molecular Weight | 169.186 | Flash Point | 166.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,3,4-Triazatricyclo[7.3.1.05,13]trideca-1(13),2,5,7,9,11-hexaene; |
Article Data | 32 |
The 1H-Naphtho[1,8-de][1,2,3]triazine, with the CAS registry number 204-03-5, is also known as 2,3,4-Triazatricyclo[7.3.1.05,13]trideca-1(13),2,5,7,9,11-hexaene. This chemical's molecular formula is C10H7N3 and molecular weight is 169.18. What's more, its systematic name is 1H-naphtho[1,8-de][1,2,3]triazine.
Physical properties of 1H-Naphtho[1,8-de][1,2,3]triazine are: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 17.89; (6)ACD/BCF (pH 7.4): 17.89; (7)ACD/KOC (pH 5.5): 274.25; (8)ACD/KOC (pH 7.4): 274.27; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 27.96 Å2; (13)Index of Refraction: 1.758; (14)Molar Refractivity: 50.14 cm3; (15)Molar Volume: 122 cm3; (16)Polarizability: 19.87×10-24cm3; (17)Surface Tension: 56.9 dyne/cm; (18)Density: 1.38 g/cm3; (19)Flash Point: 166.6 °C; (20)Enthalpy of Vaporization: 59.66 kJ/mol; (21)Boiling Point: 351.9 °C at 760 mmHg; (22)Vapour Pressure: 3.99E-05 mmHg at 25°C.
Uses of 1H-Naphtho[1,8-de][1,2,3]triazine: it can be used to produce (4-chloro-phenyl)-naphtho[1,8-de][1,2,3]triazin-1-yl-methanone at the temperature of 0-20°C. This reaction will need reagent triethylamine and solvent CH2Cl2. The yield is about 58%.
You can still convert the following datas into molecular structure:
(1)SMILES: N\2=N\Nc1c3c(ccc1)cccc/23
(2)Std. InChI: InChI=1S/C10H7N3/c1-3-7-4-2-6-9-10(7)8(5-1)11-13-12-9/h1-6H,(H,11,12)
(3)Std. InChIKey: JTCCAXGPZWYNEQ-UHFFFAOYSA-N