5-Bromo-7-methyl-1H-indazole supplier

Name
5-BROMO-7-METHYL-1H-INDAZOLE
EINECS
CAS No. 156454-43-2
Article Data13
CAS DataBase
Density 1.655 g/cm³
Solubility
Melting Point 184-185°C
Formula C₈H₇BrN₂
Boiling Point 346.22 °C at 760 mmHg
Molecular Weight 211.061
Flash Point 163.188 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 5-Bromo-7-methyl-1H-indazole;5-Bromo-7-methylindazole;
PSA 28.68000
LogP 2.63380

5-Bromo-7-methyl-1H-indazole Specification

The 5-Bromo-7-methyl-1H-indazole with cas registry number of 156454-43-2, belongs to the following product categories: (1)Halogenated Heterocycles; (2)Heterocyclic Building Blocks; (3)Indazoles. Its systematic name and IUPAC name are the same, which is of 5-bromo-7-methyl-1H-indazole. And this chemical is harmful if swallowed.

Physical properties about this chemical are: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.078; (4)ACD/LogD (pH 7.4): 3.078; (5)ACD/BCF (pH 5.5): 128.705; (6)ACD/BCF (pH 7.4): 128.706; (7)ACD/KOC (pH 5.5): 1126.303; (8)ACD/KOC (pH 7.4): 1126.317; (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: 56.703 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(cc2c1[nH]nc2)Br;
(2)InChI: InChI=1/C8H7BrN2/c1-5-2-7(9)3-6-4-10-11-8(5)6/h2-4H,1H3,(H,10,11);
(3)InChIKey: OUNQFZFHLJLFAR-UHFFFAOYAV;
(4)Std. InChI: InChI=1S/C8H7BrN2/c1-5-2-7(9)3-6-4-10-11-8(5)6/h2-4H,1H3,(H,10,11);
(5)Std. InChIKey: OUNQFZFHLJLFAR-UHFFFAOYSA-N

Product Name

5-BROMO-7-METHYL-1H-INDAZOLE

5-Bromo-7-methyl-1H-indazole Specification

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