Cas no 10557-82-1 (Isoxazole,3,4,5-trimethyl-)
Isoxazole,3,4,5-trimethyl- structure
Product Name:Isoxazole,3,4,5-trimethyl-
Isoxazole,3,4,5-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole,3,4,5-trimethyl-
- 3,4,5-trimethylisoxazole
- 3,4,5-trimethyloxazole
- .3,4,5-trimethyl-isoxazole
- .Trimethyl-isoxazol
- .trimethyl-isoxazole
- TRIMETHYLISOXAZOLE
- trimethyl-1,2-oxazole
- AKOS006275934
- 3,4,5-TRIMETHYL-ISOXAZOLE
- InChI=1/C6H9NO/c1-4-5(2)7-8-6(4)3/h1-3H3
- 4-27-00-00988 (Beilstein Handbook Reference)
- 3,4,5-trimethyl-1,2-oxazole
- O5ZX92B98S
- SCHEMBL12486
- ISOXAZOLE, TRIMETHY
- 10557-82-1
- USAF CS-1340
- ISOXAZOLE, 3,4,5-TRIMETHYL-
- Isoxazole, trimethyl-
- Q27285377
- UNII-O5ZX92B98S
- DTXSID80902518
- MGHKWBQZEBMFOH-UHFFFAOYSA-N
- BRN 0107040
- MGHKWBQZEBMFOH-UHFFFAOYSA-
-
- Inchi： 1S/C6H9NO/c1-4-5(2)7-8-6(4)3/h1-3H3
- InChI Key： MGHKWBQZEBMFOH-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C)C(C)=N1
Computed Properties
- Exact Mass: 111.06800
- Monoisotopic Mass: 111.068414
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 84.6
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26
- XLogP3: 1.5
Experimental Properties
- Density: 0.972
- Boiling Point: 181.6°Cat760mmHg
- Flash Point: 55.5°C
- Refractive Index: 1.456
- PSA: 26.03000
- LogP: 1.59980
Isoxazole,3,4,5-trimethyl- Customs Data
- HS CODE：2934999090
- Customs Data：
China Customs Code:
2934999090Overview:
2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
Isoxazole,3,4,5-trimethyl- Related Literature
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Yingying Zhao,Chunxiang Wang,Yancheng Hu,Boshun Wan Chem. Commun. 2018 54 3963
-
Maurizio D'Auria Photochem. Photobiol. Sci. 2019 18 2297
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3. Reactions of 5-substituted 3-alkyl- and 3-aryl-isoxazoles with tetrasulfur tetranitride antimony pentachloride complex (S4N4·SbCl5): complete regioselective formation of 4-substituted 3-acyl- and 3-aroyl-1,2,5-thiadiazoles and their mechanism of formationKil-Joong Kim,Kyongtae Kim J. Chem. Soc. Perkin Trans. 1 1998 2175
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4. XLV.—Contributions from the Research Laboratory of the Pharmaceutical Society of Great Britain. The action of alkalis on the nitro-compounds of the paraffin series. Formation of isoxazolesWyndham R. Dunstan,T. S. Dymond J. Chem. Soc. Trans. 1891 59 410
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5. Proceedings of the Chemical Society, Vol. 16, No. 227
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