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CAS No.: | 885223-72-3 |
---|---|
Name: | 5-Bromo-6-methyl-1H-indazole |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C8H7BrN2 |
Molecular Weight: | 211.061 |
Synonyms: | 1H-Indazole, 5-broMo-6-Methyl-;5-Bromo-6-methylindazole |
Density: | 1.654 g/cm3 |
Melting Point: | 166-169°C |
Boiling Point: | 344.6 °C at 760 mmHg |
Flash Point: | 162.2 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-51 |
PSA: | 28.68000 |
LogP: | 2.63380 |
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This chemical is called 5-Bromo-6-methyl-1H-indazole, and it can also be named as 1H-Indazole, 5-bromo-6-methyl-. With the molecular formula of C8H7BrN2, its molecular weight is 211.06. The CAS registry number of this chemical is 885223-72-3. Additionally, its product categories are Building Blocks; Indazole.
Other characteristics of the 5-Bromo-6-methyl-1H-indazole can be summarised as followings: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.05; (4)ACD/LogD (pH 7.4): 3.05; (5)ACD/BCF (pH 5.5): 122.84; (6)ACD/BCF (pH 7.4): 122.85; (7)ACD/KOC (pH 5.5): 1089.34; (8)ACD/KOC (pH 7.4): 1089.37; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.68 Å2; (13)Index of Refraction: 1.696; (14)Molar Refractivity: 49.13 cm3; (15)Molar Volume: 127.5 cm3; (16)Polarizability: 19.47×10-24cm3; (17)Surface Tension: 58.6 dyne/cm; (18)Density: 1.654 g/cm3; (19)Flash Point: 162.2 °C; (20)Enthalpy of Vaporization: 56.53 kJ/mol; (21)Boiling Point: 344.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00013 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cc1cc2c(cc1Br)cn[nH]2
2.InChI: InChI=1/C8H7BrN2/c1-5-2-8-6(3-7(5)9)4-10-11-8/h2-4H,1H3,(H,10,11)
3.InChIKey: UTDBMGRTYFPTEC-UHFFFAOYAV