CAS No.258506-49-9,2-BROMO-1-[3-(4-CHLOROPHENYL)-5-ISOXAZOLYL]-1-ETHANONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	258506-49-9
Name:	2-BROMO-1-[3-(4-CHLOROPHENYL)-5-ISOXAZOLYL]-1-ETHANONE
Article Data:	1

Formula:	C₁₁H₇BrClNO₂
Molecular Weight:	300.54
Synonyms:	2-Bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-1-ethanone;
Density:	1.603 g/cm³
Melting Point:	157 °C
Boiling Point:	441.1 °C at 760 mmHg
Flash Point:	220.5 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	43.10000
LogP:	3.57260

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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