5-Bromo-1-mehtyl-1H-indazole supplier

Name
5-BROMO-1-METHYL-1H-INDAZOLE
EINECS
CAS No. 465529-57-1
Article Data20
CAS DataBase
Density 1.607 g/cm³
Solubility
Melting Point 111-112 °C(Solv: ligroine (8032-32-4))
Formula C₈H₇BrN₂
Boiling Point 293.616 °C at 760 mmHg
Molecular Weight 211.061
Flash Point 131.374 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 1-Methyl-5-bromo-1H-indazole;5-Bromo-1-methyl-1H-indazole;
PSA 17.82000
LogP 2.33580

5-Bromo-1-mehtyl-1H-indazole Specification

The 5-Bromo-1-mehtyl-1H-indazole, with CAS registry number 465529-57-1, belongs to the following product categories: (1)Indazole; (2)Organohalides. It has the systematic name of 5-bromo-1-methyl-1H-indazole. Besides this, it is also called 1H-Indazole, 5-bromo-1-methyl-. And the chemical formula of this chemical is C₈H₇BrN_2.

Physical properties of 5-Bromo-1-mehtyl-1H-indazole: (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)Enthalpy of Vaporization: 51.184 kJ/mol; (19)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc2cnn(C)c2cc1
(2)InChI: InChI=1/C8H7BrN2/c1-11-8-3-2-7(9)4-6(8)5-10-11/h2-5H,1H3
(3)InChIKey: RMCHMXPTUMFFBZ-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C8H7BrN2/c1-11-8-3-2-7(9)4-6(8)5-10-11/h2-5H,1H3
(5)Std. InChIKey: RMCHMXPTUMFFBZ-UHFFFAOYSA-N

Product Name

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

5-Bromo-1-mehtyl-1H-indazole Specification

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