5-Bromo-4-methyl-1H-indazole supplier

Name
5-Bromo-4-methyl-1H-indazole
EINECS
CAS No. 1082041-34-6
Article Data4
CAS DataBase
Density 1.655 g/cm³
Solubility
Melting Point
Formula C₈H₇BrN₂
Boiling Point 344.623 °C at 760 mmHg
Molecular Weight 211.061
Flash Point 162.222 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms 5-bromo-4-methyl-1H-indazole;
PSA 28.68000
LogP 2.63380

5-Bromo-4-methyl-1H-indazole Specification

This chemical is called 1H-Indazole,5-bromo-4-methyl-, and its systematic name is 5-Bromo-4-methyl-1H-indazole. With the molecular formula of C₈H₇BrN₂, its molecular weight is 211.06. The CAS registry number of the chemical is 1082041-34-6. Additionally, its product categories are Building Blocks; Indazole.

Other characteristics of 1H-Indazole,5-bromo-4-methyl- can be summarised as followings: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.089; (4)ACD/LogD (pH 7.4): 3.089; (5)ACD/BCF (pH 5.5): 131.004; (6)ACD/BCF (pH 7.4): 131.007; (7)ACD/KOC (pH 5.5): 1140.669; (8)ACD/KOC (pH 7.4): 1140.693; (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: 1.697; (14)Molar Refractivity: 49.135 cm³; (15)Molar Volume: 127.555 cm³; (16)Polarizability: 19.479×10^-24cm³; (17)Surface Tension: 58.654 dyne/cm; (18)Density: 1.655 g/cm³; (19)Flash Point: 162.222 °C; (20)Enthalpy of Vaporization: 56.533 kJ/mol; (21)Boiling Point: 344.623 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Cc1c(ccc2c1cn[nH]2)Br
2.InChI: InChI=1/C8H7BrN2/c1-5-6-4-10-11-8(6)3-2-7(5)9/h2-4H,1H3,(H,10,11)
3.InChIKey: QLQQQEUHPBMUCF-UHFFFAOYAM
4.Std. InChI: InChI=1S/C8H7BrN2/c1-5-6-4-10-11-8(6)3-2-7(5)9/h2-4H,1H3,(H,10,11)
5.Std. InChIKey: QLQQQEUHPBMUCF-UHFFFAOYSA-N

Product Name

5-Bromo-4-methyl-1H-indazole

5-Bromo-4-methyl-1H-indazole Specification

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