1H-Indazole, 5-bromo-3-ethyl- supplier

Name
5-BROMO-3-ETHYL-1H-INDAZOLE
EINECS
CAS No. 864774-67-4
Article Data14
CAS DataBase
Density 1.562 g/cm³
Solubility
Melting Point
Formula C₉H₉BrN₂
Boiling Point 350.923 °C at 760 mmHg
Molecular Weight 225.088
Flash Point 166.033 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-BROMO-3-ETHYL-1H-INDAZOLE;1H-Indazole, 5-broMo-3-ethyl-
PSA 28.68000
LogP 2.88780

1H-Indazole, 5-bromo-3-ethyl- Specification

This chemical is called 1H-Indazole, 5-bromo-3-ethyl-, and its systematic name is 5-Bromo-3-ethyl-1H-indazole. With the molecular formula of C₉H₉BrN₂, its molecular weight is 225.09. The CAS registry number of this chemical is 864774-67-4.

Other characteristics of the 1H-Indazole, 5-bromo-3-ethyl- can be summarised as followings: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.908; (4)ACD/LogD (pH 7.4): 2.908; (5)ACD/BCF (pH 5.5): 95.585; (6)ACD/BCF (pH 7.4): 95.587; (7)ACD/KOC (pH 5.5): 910.267; (8)ACD/KOC (pH 7.4): 910.289; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 28.68 Å²; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 53.859 cm³; (15)Molar Volume: 144.097 cm³; (16)Polarizability: 21.351×10^-24cm³; (17)Surface Tension: 54.739 dyne/cm; (18)Density: 1.562 g/cm³; (19)Flash Point: 166.033 °C; (20)Enthalpy of Vaporization: 57.206 kJ/mol; (21)Boiling Point: 350.923 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CCc1c2cc(ccc2[nH]n1)Br
2.InChI: InChI=1/C9H9BrN2/c1-2-8-7-5-6(10)3-4-9(7)12-11-8/h3-5H,2H2,1H3,(H,11,12)
3.InChIKey: ULRBCMBSTWUHPK-UHFFFAOYAC

Product Name

5-BROMO-3-ETHYL-1H-INDAZOLE

1H-Indazole, 5-bromo-3-ethyl- Specification

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