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| Name |
5H,11H-Benzotriazolo[2,1-a]benzotriazole |
EINECS | N/A |
| CAS No. | 248-80-6 | Density | 1.49 g/cm3 |
| PSA | 40.40000 | LogP | 2.56360 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H10N4 | Boiling Point | 374.8 °C at 760 mmHg |
| Molecular Weight | 210.238 | Flash Point | 224.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
5H,11H-Benzotriazolo[2,1-a]benzotriazole(7CI,8CI);6H,12H-Benzotriazolo[2,1-a]benzotriazole (9CI);Dibenzo[b,f]-1,3a,4,6a-tetraazapentalene;6H,12H-Benzotriazolo[2,1-a]benzotriazole;4b,5,9b,10-Tetraaza-indeno[2,1-a]indene;6H,12H-Benzotriazolo[2,1-a]benzotriazole; |
5H,11H-Benzotriazolo[2,1-a]benzotriazole Specification
The 5H,11H-Benzotriazolo[2,1-a]benzotriazole with CAS registry number of 248-80-6 is also called Dibenzo[b,f]-1,3a,4,6a-tetraazapentalene. The IUPAC name is 6H,12H-benzotriazolo[2,1-a]benzotriazole. In addition, the formula is C12H10N4 and the molecular weight is 210.2346.
Physical properties about 5H,11H-Benzotriazolo[2,1-a]benzotriazole are: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.92; (4)ACD/LogD (pH 7.4): 2.92; (5)ACD/BCF (pH 5.5): 97.54; (6)ACD/BCF (pH 7.4): 97.59; (7)ACD/KOC (pH 5.5): 923.42; (8)ACD/KOC (pH 7.4): 923.89; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.96 Å2; (13)Index of Refraction: 1.842; (14)Molar Refractivity: 62.42 cm3; (15)Molar Volume: 140.6 cm3; (16)Polarizability: 24.74 ×10-24cm3; (17)Surface Tension: 82.7 dyne/cm; (18)Density: 1.49 g/cm3; (19)Flash Point: 224.3 °C; (20)Enthalpy of Vaporization: 62.22 kJ/mol; (21)Boiling Point: 374.8 °C at 760 mmHg; (22)Vapour Pressure: 8.14E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cccc3c1NN4c2ccccc2NN34
(2)InChI: InChI=1/C12H10N4/c1-3-7-11-9(5-1)13-16-12-8-4-2-6-10(12)14-15(11)16/h1-8,13-14H
(3)InChIKey: ZWLJMBULOOVQIQ-UHFFFAOYAP
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