Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ethanone,1-(3-phenyl-5-isoxazolyl)- |
EINECS | N/A |
CAS No. | 2048-69-3 | Density | 1.153 g/cm3 |
PSA | 43.10000 | LogP | 2.54420 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
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; |
Article Data | 11 |
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