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Ethyl 5-bromo-1-methyl-1H-pyrazole-4-carboxylate

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Name

Ethyl 5-bromo-1-methyl-1H-pyrazole-4-carboxylate

EINECS N/A
CAS No. 105486-72-4 Density 1.588 g/cm3
PSA 44.12000 LogP 1.35930
Solubility N/A Melting Point N/A
Formula C7H9BrN2O2 Boiling Point 290.717 °C at 760 mmHg
Molecular Weight 233.065 Flash Point 129.621 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 105486-72-4 (Ethyl 5-bromo-1-methyl-1H-pyrazole-4-carboxylate) Hazard Symbols N/A
Synonyms

1H-pyrazo;Ethyl 5-bromo-1-methyl-1H-pyrazole-4-carboxylate;LogP

Article Data 7

Ethyl 5-bromo-1-methyl-1H-pyrazole-4-carboxylate Specification

This chemical is called 5-Bromo-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester, and its systematic name is Ethyl 5-bromo-1-methyl-1H-pyrazole-4-carboxylate. With the molecular formula of C7H9BrN2O2, its molecular weight is 233.06. The CAS registry number of this chemical is 105486-72-4.

Other characteristics of the 5-Bromo-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester can be summarised as followings: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.725; (4)ACD/LogD (pH 7.4): 0.725; (5)ACD/BCF (pH 5.5): 2.094; (6)ACD/BCF (pH 7.4): 2.094; (7)ACD/KOC (pH 5.5): 59.069; (8)ACD/KOC (pH 7.4): 59.069; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.12 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 48.69 cm3; (15)Molar Volume: 146.784 cm3; (16)Polarizability: 19.302×10-24cm3; (17)Surface Tension: 43.537 dyne/cm; (18)Density: 1.588 g/cm3; (19)Flash Point: 129.621 °C; (20)Enthalpy of Vaporization: 53.01 kJ/mol; (21)Boiling Point: 290.717 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CCOC(=O)c1cnn(c1Br)C
2.InChI: InChI=1/C7H9BrN2O2/c1-3-12-7(11)5-4-9-10(2)6(5)8/h4H,3H2,1-2H3
3.InChIKey: OMQVPOJHVUMCGK-UHFFFAOYAO

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