5-(Bromoacetyl)-3-phenylisoxazole supplier

Name
5-(Bromoacetyl)-3-phenylisoxazole
EINECS
CAS No. 14731-14-7
Article Data5
CAS DataBase
Density 1.517 g/cm³
Solubility
Melting Point 109 °C
Formula C₁₁H₈BrNO₂
Boiling Point 416.763 °C at 760 mmHg
Molecular Weight 266.094
Flash Point 205.851 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms TIMTEC-BB SBB005590;BUTTPARK 43\57-72;2-BROMO-1-(3-PHENYLISOXAZOL-5-YL)ETHAN-1-ONE;5-(BROMOACETYL)-3-PHENYLISOXAZOLE;5-Bromoacetyl-2-phenylisoxazole;2-Bromo-1-(3-phenylisoxazol-5-yl)ethan-1-one, 95+%;5-(BROMOACETYL)-3-PHENYLISOXAZOLE, 95+%;2-BroMo-1-(3-phenylisoxazol-5-yl)ethanone
PSA 43.10000
LogP 2.91920

5-(Bromoacetyl)-3-phenylisoxazole Specification

This chemical is called 5-(Bromoacetyl)-3-phenylisoxazole, and its systematic name is 2-bromo-1-(3-phenylisoxazol-5-yl)ethanone. With the molecular formula of C₁₁H₈BrNO₂, its molecular weight is 266.09. The CAS registry number of this chemical is 14731-14-7. Additionally, its product category is Oxazole & Isoxazole.

Other characteristics of the 5-(Bromoacetyl)-3-phenylisoxazole can be summarised as followings: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 17.22; (6)ACD/BCF (pH 7.4): 17.22; (7)ACD/KOC (pH 5.5): 266.91; (8)ACD/KOC (pH 7.4): 266.91; (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: 1.587; (14)Molar Refractivity: 58.99 cm³; (15)Molar Volume: 175.4 cm³; (16)Polarizability: 23.38×10^-24cm³; (17)Surface Tension: 49.8 dyne/cm; (18)Density: 1.516 g/cm³; (19)Flash Point: 205.9 °C; (20)Enthalpy of Vaporization: 67.01 kJ/mol; (21)Boiling Point: 416.8 °C at 760 mmHg; (22)Vapour Pressure: 3.73E-07 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(c1ccccc1)c2
2.InChI: InChI=1/C11H8BrNO2/c12-7-10(14)11-6-9(13-15-11)8-4-2-1-3-5-8/h1-6H,7H2
3.InChIKey: XTBXGZOVSCTNEC-UHFFFAOYAZ

Product Name

5-(Bromoacetyl)-3-phenylisoxazole

5-(Bromoacetyl)-3-phenylisoxazole Specification

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