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| CAS No.: | 5378-52-9 |
|---|---|
| Name: | 5-PHENYL-1H-TETRAZOLE |
| Molecular Structure: | |
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| Formula: | C7H6N4 |
| Molecular Weight: | 146.151 |
| Synonyms: | 1-Phenyl-1H-tetrazole;1-Phenyltetrazole; |
| Density: | 1.29 g/cm3 |
| Melting Point: | 66 °C |
| Boiling Point: | 288.7 °C at 760 mmHg |
| Flash Point: | 128.4 °C |
| PSA: | 43.60000 |
| LogP: | 0.66230 |
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Specification
This chemical is called 1H-Tetrazole, 1-phenyl-, and its systematic name is 1-phenyl-1H-tetrazole. With the molecular formula of C7H6N4, its molecular weight is 146.15. The CAS registry number of this chemical is 5378-52-9.
Other characteristics of the 1H-Tetrazole, 1-phenyl- can be summarised as followings: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.09; (4)ACD/LogD (pH 7.4): 1.09; (5)ACD/BCF (pH 5.5): 3.97; (6)ACD/BCF (pH 7.4): 3.97; (7)ACD/KOC (pH 5.5): 93.32; (8)ACD/KOC (pH 7.4): 93.32; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.6 Å2; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 42.82 cm3; (15)Molar Volume: 113 cm3; (16)Polarizability: 16.97×10-24cm3; (17)Surface Tension: 55.4 dyne/cm; (18)Density: 1.29 g/cm3; (19)Flash Point: 128.4 °C; (20)Enthalpy of Vaporization: 52.79 kJ/mol; (21)Boiling Point: 288.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00231 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n2nnn(c1ccccc1)c2
2.InChI: InChI=1/C7H6N4/c1-2-4-7(5-3-1)11-6-8-9-10-11/h1-6H
3.InChIKey: IYPXPGSELZFFMI-UHFFFAOYAI