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

Name
2-BROMO-1-[3-(3,4-DICHLOROPHENYL)ISOXAZOL-5-YL]ETHAN-1-ONE
EINECS
CAS No. 175277-38-0
Density 1.68 g/cm³
Solubility
Melting Point 114 °C
Formula C₁₁H₆BrCl₂NO₂
Boiling Point 469.6 °C at 760 mmHg
Molecular Weight 334.98
Flash Point 237.8 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms 5-(Bromoacetyl)-3-(3,4-dichlorophenyl)isoxazole;2-bromo-1-[3-(3,4-dichlorophenyl)isoxazol-5-yl]ethanone;Ethanone, 2-bromo-1-[3-(3,4-dichlorophenyl)-5-isoxazolyl]-;
PSA 43.10000
LogP 4.22600

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

The Ethanone,2-bromo-1-[3-(3,4-dichlorophenyl)-5-isoxazolyl]-, with the CAS registry number 175277-38-0, has the systematic name of 2-bromo-1-[3-(3,4-dichlorophenyl)isoxazol-5-yl]ethanone. It belongs to the following product categories: Oxazole & Isoxazole. And the molecular formula of the chemical is C₁₁H₆BrCl₂NO₂.

The characteristics of Ethanone,2-bromo-1-[3-(3,4-dichlorophenyl)-5-isoxazolyl]- are as followings: (1)ACD/LogP: 2.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.94; (4)ACD/LogD (pH 7.4): 2.94; (5)ACD/BCF (pH 5.5): 100.99; (6)ACD/BCF (pH 7.4): 100.99; (7)ACD/KOC (pH 5.5): 946.86; (8)ACD/KOC (pH 7.4): 946.86; (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: 1.606; (14)Molar Refractivity: 68.78 cm³; (15)Molar Volume: 199.3 cm³; (16)Polarizability: 27.26×10^-24cm³; (17)Surface Tension: 52.9 dyne/cm; (18)Density: 1.68 g/cm³; (19)Flash Point: 237.8 °C; (20)Enthalpy of Vaporization: 73.2 kJ/mol; (21)Boiling Point: 469.6 °C at 760 mmHg; (22)Vapour Pressure: 5.43E-09 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: BrCC(=O)c2onc(c1cc(Cl)c(Cl)cc1)c2
(2)InChI: InChI=1/C11H6BrCl2NO2/c12-5-10(16)11-4-9(15-17-11)6-1-2-7(13)8(14)3-6/h1-4H,5H2
(3)InChIKey: CBDHLEMYIQJYII-UHFFFAOYAK

Product Name

2-BROMO-1-[3-(3,4-DICHLOROPHENYL)ISOXAZOL-5-YL]ETHAN-1-ONE

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

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