5-Bromo-3-methyl-1H-indazole supplier

Name
5-BROMO-3-METHYL-1H-INDAZOLE
EINECS
CAS No. 552331-16-5
Article Data23
CAS DataBase
Density 1.655 g/cm³
Solubility
Melting Point
Formula C₈H₇BrN₂
Boiling Point 341.417 °C at 760 mmHg
Molecular Weight 211.061
Flash Point 160.284 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Methyl-5-bromo-1H-indazole;5-Bromo-3-methyl-1H-indazole;
PSA 28.68000
LogP 2.63380

5-Bromo-3-methyl-1H-indazole Specification

The 5-Bromo-3-methyl-1H-indazole, with CAS registry number 552331-16-5, belongs to the following product categories: (1)Indazole; (2)Building Blocks. It has the systematic name of 5-bromo-3-methyl-1H-indazole. Besides this, its IUPAC name is 5-bromo-3-methyl-2H-indazole. And the chemical formula of this chemical is C₈H₇BrN₂.

Physical properties of 5-Bromo-3-methyl-1H-indazole: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 39; (6)ACD/BCF (pH 7.4): 39; (7)ACD/KOC (pH 5.5): 481; (8)ACD/KOC (pH 7.4): 481; (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)Enthalpy of Vaporization: 56.191 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c2cc(ccc2[nH]n1)Br
(2)InChI: InChI=1/C8H7BrN2/c1-5-7-4-6(9)2-3-8(7)11-10-5/h2-4H,1H3,(H,10,11)
(3)InChIKey: XDJNHYAQZWCIAH-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H7BrN2/c1-5-7-4-6(9)2-3-8(7)11-10-5/h2-4H,1H3,(H,10,11)
(5)Std. InChIKey: XDJNHYAQZWCIAH-UHFFFAOYSA-N

Product Name

5-BROMO-3-METHYL-1H-INDAZOLE

5-Bromo-3-methyl-1H-indazole Specification

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