3-Isoxazolecarboxylicacid, 5-acetyl-, ethyl ester supplier

Name
ETHYL 5-ACETYLISOXASOLE-3-CARBOXYLATE
EINECS
CAS No. 104776-70-7
Article Data8
CAS DataBase
Density 1.209g/cm³
Solubility
Melting Point 64-66°C
Formula C₈H₉NO₄
Boiling Point 327.6°C at 760mm Hg
Molecular Weight 183.16
Flash Point 151.9°C
Transport Information
Appearance
Safety 22-26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
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
PSA 69.40000
LogP 1.05390

3-Isoxazolecarboxylicacid, 5-acetyl-, ethyl ester 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

Product Name

ETHYL 5-ACETYLISOXASOLE-3-CARBOXYLATE

3-Isoxazolecarboxylicacid, 5-acetyl-, ethyl ester Specification

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