1H-Indazole,4-bromo-1-methyl- supplier

Name
4-BROMO-1-METHYL-1H-INDAZOLE
EINECS
CAS No. 365427-30-1
Article Data4
CAS DataBase
Density 1.607 g/cm³
Solubility
Melting Point
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 4-Bromo-1-methyl-1H-indazole;4-Bromo-1-methylindazole;
PSA 17.82000
LogP 2.33580

1H-Indazole,4-bromo-1-methyl- Specification

The 1H-Indazole,4-bromo-1-methyl-, with the CAS registry number 365427-30-1, has the systematic name of 4-bromo-1-methyl-1H-indazole. It belongs to the product categories of Building Blocks and Indazole. And the molecular formula of the chemical is C₈H₇BrN₂.

The characteristics of 1H-Indazole,4-bromo-1-methyl- are as followings: (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)Density: 1.607 g/cm³; (19)Flash Point: 131.374 °C; (20)Enthalpy of Vaporization: 51.184 kJ/mol; (21)Boiling Point: 293.616 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc2cccc1c2cnn1C
(2)InChI: InChI=1/C8H7BrN2/c1-11-8-4-2-3-7(9)6(8)5-10-11/h2-5H,1H3
(3)InChIKey: AQUSISHVASVOBL-UHFFFAOYAE

Product Name

4-BROMO-1-METHYL-1H-INDAZOLE

1H-Indazole,4-bromo-1-methyl- Specification

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