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| CAS No.: | 944718-32-5 |
|---|---|
| Name: | 6-Bromo-1-methyl-1H-benzo[d][1,2,3]triazole |
| Molecular Structure: | |
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| Formula: | C7H8BrN3 |
| Molecular Weight: | 214.06 |
| Synonyms: | 6-bromo-1-methyl-1H-benzo[d][1,2,3]triazole |
| Density: | 1.78 g/cm3 |
| Boiling Point: | 268 °C |
| Flash Point: | 116 °C |
| PSA: | 30.71000 |
| LogP: | 1.73080 |
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Specification
This chemical is called 6-Bromo-1-methyl-1H-benzo[d][1,2,3]triazole, and it can also be named as 1H-1,2,3-benzotriazole, 6-bromo-1-methyl-. With the molecular formula of C7H8BrN3, its molecular weight is 214.06. The CAS registry number of this chemical is 944718-32-5.
Other characteristics of the 6-Bromo-1-methyl-1H-benzo[d][1,2,3]triazole can be summarised as followings: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 14.45; (6)ACD/BCF (pH 7.4): 14.45; (7)ACD/KOC (pH 5.5): 235.39; (8)ACD/KOC (pH 7.4): 235.39; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 30.71 Å2; (13)Index of Refraction: 1.714; (14)Molar Refractivity: 47.13 cm3; (15)Molar Volume: 119.9 cm3; (16)Polarizability: 18.68×10-24cm3; (17)Surface Tension: 53.6 dyne/cm; (18)Density: 1.76 g/cm3; (19)Flash Point: 154.9 °C; (20)Enthalpy of Vaporization: 55.25 kJ/mol; (21)Boiling Point: 332.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000279 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cn1c2cc(ccc2nn1)Br
2.InChI: InChI=1/C7H6BrN3/c1-11-7-4-5(8)2-3-6(7)9-10-11/h2-4H,1H3
3.InChIKey: GPKHIVIGTSWNRM-UHFFFAOYAZ