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| CAS No.: | 26120-43-4 |
|---|---|
| Name: | 1-Methyl-4-nitro-1H-indazole |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C8H7N3O2 |
| Molecular Weight: | 177.05 |
| Synonyms: | 1-Methyl-4-nitro-1H-indazole;1-Methyl-4-nitroindazole;NSC 131658; |
| Density: | 1.425 g/cm3 |
| Melting Point: | 141-142 °C |
| Boiling Point: | 332.863 °C at 760 mmHg |
| Flash Point: | 155.11 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 63.64000 |
| LogP: | 2.00470 |
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- 852475-26-4MC1568
- Total:38 Page 1 of 1 1
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Specification
This chemical is called 1H-Indazole, 1-methyl-4-nitro-, and its systematic name is 1-methyl-4-nitro-1H-indazole. With the molecular formula of C8H7N3O2, its molecular weight is 177.16. The CAS registry number of this chemical is 26120-43-4.
Other characteristics of the 1H-Indazole, 1-methyl-4-nitro- can be summarised as followings: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 63.64 Å2; (7)Index of Refraction: 1.676; (8)Molar Refractivity: 46.79 cm3; (9)Molar Volume: 124.2 cm3; (10)Polarizability: 18.55×10-24cm3; (11)Surface Tension: 59.6 dyne/cm; (12)Density: 1.42 g/cm3; (13)Flash Point: 155.1 °C; (14)Enthalpy of Vaporization: 55.28 kJ/mol; (15)Boiling Point: 332.9 °C at 760 mmHg; (16)Vapour Pressure: 0.000274 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c1cccc2c1cnn2C
2.InChI: InChI=1/C8H7N3O2/c1-10-7-3-2-4-8(11(12)13)6(7)5-9-10/h2-5H,1H3
3.InChIKey: FGSQGIYFGWQTRE-UHFFFAOYAN