Ethanone,1-(3-phenyl-5-isoxazolyl)- supplier

Name
1-(3-PHENYL-5-ISOXAZOLYL)-1-ETHANONE
EINECS
CAS No. 2048-69-3
Article Data11
CAS DataBase
Density 1.153 g/cm³
Solubility
Melting Point 107-108,5 °C
Formula C₁₁H₉NO₂
Boiling Point 373 °C at 760 mmHg
Molecular Weight 187.198
Flash Point 179.4 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Ketone,methyl 3-phenyl-5-isoxazolyl (6CI,7CI,8CI);1-(3-Phenylisoxazol-5-yl)ethanone;3-Phenyl-5-acetylisoxazole;5-Acetyl-3-phenylisoxazole;
PSA 43.10000
LogP 2.54420

Ethanone,1-(3-phenyl-5-isoxazolyl)- Specification

The Ethanone,1-(3-phenyl-5-isoxazolyl)-, with the CAS registry number 2048-69-3, is also known as 1-(3-Phenylisoxazol-5-yl)ethanone. This chemical's molecular formula is C₁₁H₉NO₂ and molecular weight is 187.19. What's more, its IUPAC name is called 1-(3-Phenyl-1,2-oxazol-5-yl)ethanone.

Physical properties about Ethanone,1-(3-phenyl-5-isoxazolyl)- are: (1) ACD/LogP: 1.40; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.4; (4) ACD/LogD (pH 7.4): 1.4; (5) ACD/BCF (pH 5.5): 6.87; (6) ACD/BCF (pH 7.4): 6.87; (7) ACD/KOC (pH 5.5): 138.24; (8) ACD/KOC (pH 7.4): 138.24; (9) #H bond acceptors: 3; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 43.1 Å²; (13) Index of Refraction: 1.544; (14) Molar Refractivity: 51.26 cm³; (15) Molar Volume: 162.2 cm³; (16) Surface Tension: 42.3 dyne/cm; (17) Density: 1.153 g/cm³; (18) Flash Point: 179.4 °C; (19) Enthalpy of Vaporization: 62.02 kJ/mol; (20) Boiling Point: 373 °C at 760 mmHg; (21) Vapour Pressure: 9.23E-06 mmHg at 25 °C; (22) Melting Point: 107-108.5 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c2onc(c1ccccc1)c2)C
(2) InChI: InChI=1/C11H9NO2/c1-8(13)11-7-10(12-14-11)9-5-3-2-4-6-9/h2-7H,1H3
(3) InChIKey: SOHVRTPQGGXAQS-UHFFFAOYAF

Product Name

1-(3-PHENYL-5-ISOXAZOLYL)-1-ETHANONE

Ethanone,1-(3-phenyl-5-isoxazolyl)- Specification

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