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Ethanone, 2-bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-

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Name

Ethanone, 2-bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-

EINECS N/A
CAS No. 258506-49-9 Density 1.603 g/cm3
PSA 43.10000 LogP 3.57260
Solubility N/A Melting Point 157 °C
Formula C11H7BrClNO2 Boiling Point 441.1 °C at 760 mmHg
Molecular Weight 300.54 Flash Point 220.5 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 258506-49-9 (2-BROMO-1-[3-(4-CHLOROPHENYL)-5-ISOXAZOLYL]-1-ETHANONE) Hazard Symbols IrritantXi
Synonyms

2-Bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-1-ethanone;

Article Data 1

Ethanone, 2-bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]- Specification

This chemical is called Ethanone, 2-bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-, and its systematic name is 2-Bromo-1-[3-(4-chlorophenyl)isoxazol-5-yl]ethanone. With the molecular formula of C11H7BrClNO2, its molecular weight is 300.54. The CAS registry number of this chemical is 258506-49-9. Additionally, its product categories are Oxazole & Isoxazole.

Other characteristics of the Ethanone, 2-bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]- can be summarised as followings: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.5; (5)ACD/BCF (pH 5.5): 46.7; (6)ACD/BCF (pH 7.4): 46.7; (7)ACD/KOC (pH 5.5): 545.18; (8)ACD/KOC (pH 7.4): 545.18; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.1 Å2; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 63.89 cm3; (15)Molar Volume: 187.3 cm3; (16)Polarizability: 25.32×10-24cm3; (17)Surface Tension: 51.4 dyne/cm; (18)Density: 1.603 g/cm3; (19)Flash Point: 220.5 °C; (20)Enthalpy of Vaporization: 69.83 kJ/mol; (21)Boiling Point: 441.1 °C at 760 mmHg; (22)Vapour Pressure: 5.6E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: BrCC(=O)c2onc(c1ccc(Cl)cc1)c2
2.InChI: InChI=1/C11H7BrClNO2/c12-6-10(15)11-5-9(14-16-11)7-1-3-8(13)4-2-7/h1-5H,6H2
3.InChIKey: OUHGJKFYGYXITB-UHFFFAOYAZ

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