5-Bromo-4-chloro-1H-indazole supplier

Name
5-Bromo-4-chloro-1H-indazole
EINECS
CAS No. 1082041-90-4
Article Data3
CAS DataBase
Density 1.878 g/cm³
Solubility
Melting Point
Formula C₇H₄BrClN₂
Boiling Point 374.7 °C at 760 mmHg
Molecular Weight 231.479
Flash Point 180.4 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms 5-bromo-4-chloro-1H-indazole;
PSA 28.68000
LogP 2.97880

5-Bromo-4-chloro-1H-indazole Specification

This chemical is called 1H-Indazole,5-bromo-4-chloro-, and its systematic name is 5-Bromo-4-chloro-1H-indazole. With the molecular formula of C₇H₄BrClN₂, its molecular weight is 231.48. The CAS registry number of the chemical is 1082041-90-4.

Other characteristics of 1H-Indazole,5-bromo-4-chloro- can be summarised as followings: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.1; (4)ACD/LogD (pH 7.4): 3.1; (5)ACD/BCF (pH 5.5): 132.91; (6)ACD/BCF (pH 7.4): 132.9; (7)ACD/KOC (pH 5.5): 1152.52; (8)ACD/KOC (pH 7.4): 1152.45; (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: 1.73; (14)Molar Refractivity: 49.2 cm³; (15)Molar Volume: 123.2 cm³; (16)Polarizability: 19.5×10^-24cm³; (17)Surface Tension: 65.9 dyne/cm; (18)Density: 1.878 g/cm³; (19)Flash Point: 180.4 °C; (20)Enthalpy of Vaporization: 59.77 kJ/mol; (21)Boiling Point: 374.7 °C at 760 mmHg; (22)Vapour Pressure: 1.77E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: c1cc(c(c2c1[nH]nc2)Cl)Br
2.InChI: InChI=1/C7H4BrClN2/c8-5-1-2-6-4(7(5)9)3-10-11-6/h1-3H,(H,10,11)
3.InChIKey: GMGRNRQBEWCLKJ-UHFFFAOYAZ
4.Std. InChI: InChI=1S/C7H4BrClN2/c8-5-1-2-6-4(7(5)9)3-10-11-6/h1-3H,(H,10,11)
5.Std. InChIKey: GMGRNRQBEWCLKJ-UHFFFAOYSA-N

Product Name

5-Bromo-4-chloro-1H-indazole

5-Bromo-4-chloro-1H-indazole Specification

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