5-Bromo-2-methyl-2H-indazole supplier

Name
5-BROMO-2-METHYL-2H-INDAZOLE
EINECS
CAS No. 465529-56-0
Article Data22
CAS DataBase
Density 1.607g/cm³
Solubility
Melting Point
Formula C₈H₇BrN₂
Boiling Point 322.677 °C at 760 mmHg
Molecular Weight 211.061
Flash Point 148.95 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Methyl-5-bromo-2H-indazole;5-Bromo-2-methyl-2H-indazole;
PSA 17.82000
LogP 2.33580

5-Bromo-2-methyl-2H-indazole Specification

The 5-Bromo-2-methyl-2H-indazole with cas registry number of 465529-56-0, belongs to the following product categories: (1)Indazole; (2)Organohalides. It has the systematic name of 5-bromo-2-methyl-2H-indazole. And its IUPAC name is 5-bromo-2-methylindazole. Besides this, it is also named 2H-Indazole, 5-bromo-2-methyl-.

Physical properties about this chemical are: (1)ACD/LogP: 2.78; (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): 54; (6)ACD/BCF (pH 7.4): 54; (7)ACD/KOC (pH 5.5): 605; (8)ACD/KOC (pH 7.4): 605; (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)Enthalpy of Vaporization: 54.209 kJ/mol; (19)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2cc1c(nn(c1)C)cc2
(2)InChI: InChI=1/C8H7BrN2/c1-11-5-6-4-7(9)2-3-8(6)10-11/h2-5H,1H3
(3)InChIKey: QFZOHVHNTZTZMJ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C8H7BrN2/c1-11-5-6-4-7(9)2-3-8(6)10-11/h2-5H,1H3
(5)Std. InChIKey: QFZOHVHNTZTZMJ-UHFFFAOYSA-N

Product Name

5-BROMO-2-METHYL-2H-INDAZOLE

5-Bromo-2-methyl-2H-indazole Specification

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