Cas no 135351-33-6 (Isoxazole, 3-methyl-5-(trichloromethyl)-)
135351-33-6 structure
Product Name:Isoxazole, 3-methyl-5-(trichloromethyl)-
CAS No:135351-33-6
MF:C5H4Cl3NO
MW:200.450358390808
CID:1237773
Update Time:2024-08-03
Isoxazole, 3-methyl-5-(trichloromethyl)- Chemical and Physical Properties
Names and Identifiers
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- Isoxazole, 3-methyl-5-(trichloromethyl)-
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- Inchi： 1S/C5H4Cl3NO/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H3
- InChI Key： QMNYACMEFLFQKM-UHFFFAOYSA-N
- SMILES： O1C(C(Cl)(Cl)Cl)=CC(C)=N1
Computed Properties
- Exact Mass: 198.93602
Experimental Properties
- Density: 1.506±0.06 g/cm3(Predicted)
- Boiling Point: 246.2±35.0 °C(Predicted)
- PSA: 26.03
- pka: -3.39±0.50(Predicted)
Isoxazole, 3-methyl-5-(trichloromethyl)- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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