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| CAS No.: | 13436-48-1 |
|---|---|
| Name: | 1-methylindazole |
| Article Data: | 42 |
| Molecular Structure: | |
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| Formula: | C8H8N2 |
| Molecular Weight: | 132.165 |
| Synonyms: | 1-Methyl-1H-indazole;1-Methylbenzopyrazole;1-Methylindazole;NSC 195339; |
| Density: | 1.11 g/cm3 |
| Melting Point: | 60.5°C |
| Boiling Point: | 231 °C at 760 mmHg |
| Flash Point: | 93.5 °C |
| PSA: | 17.82000 |
| LogP: | 1.57330 |
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- Total:18 Page 1 of 1 1
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Specification
This chemical is called 1H-Indazole,1-methyl-, and it can also be named as 1-Methylindazole. Its the molecular formula is C8H8N2. The CAS registry number of this chemical is 13436-48-1, and its product category is pharmacetical. The systematic name of this chemical is 1-Methyl-1H-indazole.
Other characteristics of the 1H-Indazole,1-methyl- can be summarised as follows: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 17.25; (6)ACD/BCF (pH 7.4): 17.25; (7)ACD/KOC (pH 5.5): 267.21; (8)ACD/KOC (pH 7.4): 267.24; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 41.13 cm3; (15)Molar Volume: 118.7 cm3; (16)Polarizability: 16.3×10-24 cm3; (17)Surface Tension: 40.7 dyne/cm; (18)Density: 1.11 g/cm3; (19)Flash Point: 93.5 °C; (20)Enthalpy of Vaporization: 44.87 kJ/mol; (21)Boiling Point: 231 °C at 760 mmHg; (22)Vapour Pressure: 0.0968 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n2cc1ccccc1n2C
2.InChI: InChI=1/C8H8N2/c1-10-8-5-3-2-4-7(8)6-9-10/h2-6H,1H3
3.InChIKey: CSUGQXMRKOKBFI-UHFFFAOYAB