81282-12-4

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81282-12-4 Structure

Identification	Back Directory
[Name] ETHYL 5-(4-CHLOROPHENYL)ISOXAZOLE-3-CARBOXYLATE
[CAS] 81282-12-4
[Synonyms] ETHYL 5-(4-CHLOROPHENYL)ISOXAZOLE-3-CARBOXYLATE 3-(4-Chloro-phenyl)-isoxazole-5-carboxylic acid ethylester 5-(4-chloro-phenyl)-isoxazole-3-carboxylic acid ethyl ester 3-Isoxazolecarboxylic acid, 5-(4-chlorophenyl)-, ethyl ester
[Molecular Formula] C12H10ClNO3
[MDL Number] MFCD08446403
[MOL File] 81282-12-4.mol
[Molecular Weight] 251.67

Chemical Properties	Back Directory
[Melting point ] 127-128 °C(Solv: ethanol (64-17-5))
[Boiling point ] 405.4±35.0 °C(Predicted)
[density ] 1.276±0.06 g/cm3(Predicted)
[storage temp. ] 2-8°C
[form ] solid
[pka] -6.61±0.38(Predicted)
[InChI] 1S/C12H10ClNO3/c1-2-16-12(15)10-7-11(17-14-10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
[InChIKey] CJQWCZKLLDAKCX-UHFFFAOYSA-N
[SMILES] CCOC(=O)c1cc(on1)-c2ccc(Cl)cc2

Safety Data	Back Directory
[Hazard Codes ] Xi
[Risk Statements ] 36
[Safety Statements ] 26
[WGK Germany ] WGK 3
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Eye Irrit. 2

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