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CAS No.: | 23012-25-1 |
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Name: | Ethanone, 1-(2,4-dimethyl-5-oxazolyl)- (9CI) |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C7H9NO2 |
Molecular Weight: | 139.154 |
Synonyms: | Ketone, 2,4-dimethyl-5-oxazolyl methyl (8CI);1-(2,4-Dimethyloxazol-5-yl)ethanone;5-Acetyl-2,4-dimethyloxazole;NSC 254970; |
Density: | 1.074 g/cm3 |
Melting Point: | 170-172°C |
Boiling Point: | 212.4 °C at 760 mmHg |
Flash Point: | 82.2 °C |
PSA: | 43.10000 |
LogP: | 1.49400 |
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The CAS registry number of Ethanone, 1-(2,4-dimethyl-5-oxazolyl)- is 23012-25-1. It belongs to the product category of Acetylgroup. This chemical is also named as 2-Phenyl-5-(trifluoromethyl)oxazole-4-carboxylic acid. In addition, its molecular formula is C7H9NO2 and molecular weight is 139.15186. Its systematic name and IUPAC name are the same which is called 1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone.
Physical properties about Ethanone, 1-(2,4-dimethyl-5-oxazolyl)- are: (1)ACD/LogP: 0.08; (2)#H bond acceptors: 3; (3)#H bond donors: 0; (4)#Freely Rotating Bonds: 1; (5)Index of Refraction: 1.472; (6)Molar Refractivity: 36.32 cm3; (7)Molar Volume: 129.5 cm3; (8)Surface Tension: 35.3 dyne/cm; (9)Density: 1.074 g/cm3; (10)Flash Point: 82.2 °C; (11)Enthalpy of Vaporization: 44.87 kJ/mol; (12)Boiling Point: 212.4 °C at 760 mmHg; (13)Vapour Pressure: 0.174 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1oc(nc1C)C)C
(2)InChI: InChI=1/C7H9NO2/c1-4-7(5(2)9)10-6(3)8-4/h1-3H3
(3)InChIKey: YJWCNOMJKJYKLQ-UHFFFAOYAG