3-Isoxazolecarboxylicacid, 5-(2-thienyl)-, ethyl ester supplier

Name
ETHYL 5-(2-THIENYL)ISOXAZOLE-3-CARBOXYLATE
EINECS
CAS No. 90924-54-2
Article Data10
CAS DataBase
Density 1.278g/cm³
Solubility
Melting Point 47.5-51.5°C
Formula C₁₀H₉NO₃S
Boiling Point 379.7 °C at 760 mmHg
Molecular Weight 223.252
Flash Point 183.4 °C
Transport Information
Appearance
Safety
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms Ethyl5-(thiophen-2-yl)isoxazole-3-carboxylate;
PSA 80.57000
LogP 2.57980

3-Isoxazolecarboxylicacid, 5-(2-thienyl)-, ethyl ester Specification

The 3-Isoxazolecarboxylicacid, 5-(2-thienyl)-, ethyl ester, with CAS registry number 90924-54-2, has the systematic name of ethyl 5-thiophen-2-ylisoxazole-3-carboxylate. This chemical may cause inflammation to the skin or other mucous membranes. And the chemical formula of this chemical is C₁₀H₉NO₃S.

Physical properties of 3-Isoxazolecarboxylicacid, 5-(2-thienyl)-, ethyl ester: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.02; (4)ACD/LogD (pH 7.4): 3.02; (5)ACD/BCF (pH 5.5): 117.09; (6)ACD/BCF (pH 7.4): 117.09; (7)ACD/KOC (pH 5.5): 1052.61; (8)ACD/KOC (pH 7.4): 1052.61; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 80.57 Å²; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 56.02 cm³; (15)Molar Volume: 174.6 cm³; (16)Polarizability: 22.21×10^-24cm³; (17)Surface Tension: 46.7 dyne/cm; (18)Density: 1.278 g/cm³; (19)Flash Point: 183.4 °C; (20)Enthalpy of Vaporization: 62.78 kJ/mol; (21)Boiling Point: 379.7 °C at 760 mmHg; (22)Vapour Pressure: 5.75E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c2noc(c1sccc1)c2
(2)InChI: InChI=1/C10H9NO3S/c1-2-13-10(12)7-6-8(14-11-7)9-4-3-5-15-9/h3-6H,2H2,1H3
(3)InChIKey: YPIUQIUZEYMWAX-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C10H9NO3S/c1-2-13-10(12)7-6-8(14-11-7)9-4-3-5-15-9/h3-6H,2H2,1H3
(5)Std. InChIKey: YPIUQIUZEYMWAX-UHFFFAOYSA-N

Product Name

ETHYL 5-(2-THIENYL)ISOXAZOLE-3-CARBOXYLATE

3-Isoxazolecarboxylicacid, 5-(2-thienyl)-, ethyl ester Specification

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