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CAS No.: | 19212-42-1 |
---|---|
Name: | 1-(5-METHYL-3-PHENYLISOXAZOL-4-YL)ETHAN-1-ONE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C12H11NO2 |
Molecular Weight: | 201.225 |
Synonyms: | Ketone,methyl 5-methyl-3-phenyl-4-isoxazolyl (8CI);1-(5-Methyl-3-phenylisoxazol-4-yl)ethanone;3-Phenyl-4-acetyl-5-methylisoxazole;NSC 255230; |
Density: | 1.127 g/cm3 |
Melting Point: | 56-58 °C |
Boiling Point: | 359 °C at 760 mmHg |
Flash Point: | 170.9 °C |
Hazard Symbols: | Xi |
Risk Codes: | 22-36 |
Safety: | 26 |
PSA: | 43.10000 |
LogP: | 2.85260 |
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The Ethanone,1-(5-methyl-3-phenyl-4-isoxazolyl)-, with the CAS registry number 19212-42-1, is also known as 3-Phenyl-4-acetyl-5-methylisoxazole. This chemical's molecular formula is C12H11NO2 molecular weight is 201.22. What's more, its systematic name and its IUPAC name are the same which is called 1-(5-Methyl-3-phenylisoxazol-4-yl)ethanone. When you are dealing with this chemical, you should be very careful. This chemical is irritant and may cause inflammation to the skin or other mucous membranes.
Physical properties about Ethanone,1-(5-methyl-3-phenyl-4-isoxazolyl)-: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 43.1 Å2; (7)Index of Refraction: 1.54; (8)Molar Refractivity: 56.08 cm3; (9)Molar Volume: 178.5 cm3; (10)Surface Tension: 40.9 dyne/cm; (11)Density: 1.127 g/cm3; (12)Flash Point: 170.9 °C; (13)Enthalpy of Vaporization: 60.45 kJ/mol; (14)Boiling Point: 359 °C at 760 mmHg; (15)Vapour Pressure: 2.46E-05 mmHg at 25 °C; (22)Melting point: 56-58 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c2c(onc2c1ccccc1)C)C
(2) InChI: InChI=1/C12H11NO2/c1-8(14)11-9(2)15-13-12(11)10-6-4-3-5-7-10/h3-7H,1-2H3
(3) InChIKey: LWPHDEBMXBDBBO-UHFFFAOYAJ