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| CAS No.: | 104776-70-7 |
|---|---|
| Name: | ETHYL 5-ACETYLISOXASOLE-3-CARBOXYLATE |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C8H9NO4 |
| Molecular Weight: | 183.16 |
| Synonyms: | ETHYL 5-ACETYLISOXASOLE-3-CARBOXYLATE;ETHYL 5-ACETYLISOXAZOLE-3-CARBOXYLATE;BUTTPARK 82\12-92;5-Acetyl-3-isoxazolecarboxylic acid ethyl ester;5-Acetyl-isoxazole-3-carboxylic acid ethyl ester;Ethyl 5-acetyl-1,2-oxazole-3-carboxylate, 5-Acetyl-3-(ethoxycarbonyl)-1,2-oxazole |
| Density: | 1.209g/cm3 |
| Melting Point: | 64-66°C |
| Boiling Point: | 327.6°C at 760mm Hg |
| Flash Point: | 151.9°C |
| Hazard Symbols: |
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| Risk Codes: | 36/37/38 |
| Safety: | 22-26-36/37/39 |
| PSA: | 69.40000 |
| LogP: | 1.05390 |
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- Total:12 Page 1 of 1 1
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Specification
The 3-Isoxazolecarboxylicacid, 5-acetyl-, ethyl ester, with the CAS registry number 104776-70-7, is also known as Ethyl 5-acetyl-1,2-oxazole-3-carboxylate. This chemical's molecular formula is C8H9NO4 and molecular weight is 183.16. What's more, its systematic name is ethyl 5-acetylisoxazole-3-carboxylate.
Physical properties of 2,3-Diphenylindole are: (1)ACD/LogP: 0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.31; (4)ACD/LogD (pH 7.4): 0.31; (5)ACD/BCF (pH 5.5): 1.01; (6)ACD/BCF (pH 7.4): 1.01; (7)ACD/KOC (pH 5.5): 35.16; (8)ACD/KOC (pH 7.4): 35.16; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 69.4 Å2; (13)Index of Refraction: 1.48; (14)Molar Refractivity: 43.07 cm3; (15)Molar Volume: 151.3 cm3; (16)Polarizability: 17.07×10-24cm3; (17)Surface Tension: 41.9 dyne/cm; (18)Density: 1.209 g/cm3; (19)Flash Point: 151.9 °C; (20)Enthalpy of Vaporization: 56.99 kJ/mol; (21)Boiling Point: 327.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0002 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When use it, you should wear suitable protective clothing, gloves and eye/face protection, shouldn't breath dust.
You can still convert the following datas into molecular structure:
(1)SMILES:O=C(c1onc(C(=O)OCC)c1)C
(2)InChI:InChI=1/C8H9NO4/c1-3-12-8(11)6-4-7(5(2)10)13-9-6/h4H,3H2,1-2H3
(3)InChIKey:WHZRTVZOVQOWLG-UHFFFAOYAP