Cas no 56045-69-3 (Isoxazole, 3-iodo-5-phenyl-)
Isoxazole, 3-iodo-5-phenyl- structure
Product Name:Isoxazole, 3-iodo-5-phenyl-
CAS No:56045-69-3
MF:C9H6INO
MW:271.054514408112
CID:1596790
Update Time:2024-09-13
Isoxazole, 3-iodo-5-phenyl- Chemical and Physical Properties
Names and Identifiers
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- Isoxazole, 3-iodo-5-phenyl-
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- Inchi： 1S/C9H6INO/c10-9-6-8(12-11-9)7-4-2-1-3-5-7/h1-6H
- InChI Key： QCLCRZQZDMAIMP-UHFFFAOYSA-N
- SMILES： O1C(C2=CC=CC=C2)=CC(I)=N1
Computed Properties
- Exact Mass: 270.94898
Experimental Properties
- Density: 1.773±0.06 g/cm3(Predicted)
- Melting Point: 106.5-109.0 °C(Solv: hexane (110-54-3))
- Boiling Point: 367.6±30.0 °C(Predicted)
- PSA: 26.03
- pka: -6.25±0.28(Predicted)
Isoxazole, 3-iodo-5-phenyl- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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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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