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| CAS No.: | 365427-30-1 |
|---|---|
| Name: | 4-BROMO-1-METHYL-1H-INDAZOLE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C8H7BrN2 |
| Molecular Weight: | 211.061 |
| Synonyms: | 4-Bromo-1-methyl-1H-indazole;4-Bromo-1-methylindazole; |
| Density: | 1.607 g/cm3 |
| Boiling Point: | 293.616 °C at 760 mmHg |
| Flash Point: | 131.374 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 17.82000 |
| LogP: | 2.33580 |
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Specification
The 1H-Indazole,4-bromo-1-methyl-, with the CAS registry number 365427-30-1, has the systematic name of 4-bromo-1-methyl-1H-indazole. It belongs to the product categories of Building Blocks and Indazole. And the molecular formula of the chemical is C8H7BrN2.
The characteristics of 1H-Indazole,4-bromo-1-methyl- are as followings: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 67; (6)ACD/BCF (pH 7.4): 67; (7)ACD/KOC (pH 5.5): 703; (8)ACD/KOC (pH 7.4): 703; (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: 1.663; (14)Molar Refractivity: 48.694 cm3; (15)Molar Volume: 131.377 cm3; (16)Polarizability: 19.304×10-24cm3; (17)Surface Tension: 46.756 dyne/cm; (18)Density: 1.607 g/cm3; (19)Flash Point: 131.374 °C; (20)Enthalpy of Vaporization: 51.184 kJ/mol; (21)Boiling Point: 293.616 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc2cccc1c2cnn1C
(2)InChI: InChI=1/C8H7BrN2/c1-11-8-4-2-3-7(9)6(8)5-10-11/h2-5H,1H3
(3)InChIKey: AQUSISHVASVOBL-UHFFFAOYAE