Cas no 845266-24-2 (Acetonitrile,2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-)
![Acetonitrile,2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]- structure](https://ossimg.kuujia.com/scimg/845500/845266-24-2x500.png)
845266-24-2 structure
Product Name:Acetonitrile,2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-
CAS No:845266-24-2
MF:C8H5F3N2O2S
MW:250.197710752487
CID:716317
PubChem ID:2820801
Update Time:2025-04-19
Acetonitrile,2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- Acetonitrile,2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-
- 2-([5-(TRIFLUOROMETHYL)-2-PYRIDYL]SULFONYL)ACETONITRILE
- 2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylacetonitrile
- HMS555M13
- FT-0644895
- 845266-24-2
- 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetonitrile
- DTXSID40384871
- A840832
- [5-(Trifluoromethyl)pyridine-2-sulfonyl]acetonitrile
- 2-(5-(trifluoromethyl)pyridin-2-ylsulfonyl)acetonitrile
- 2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylethanenitrile
- Maybridge1_005029
- CCG-248457
-
- Inchi： 1S/C8H5F3N2O2S/c9-8(10,11)6-1-2-7(13-5-6)16(14,15)4-3-12/h1-2,5H,4H2
- InChI Key： QHSGLINBMNSOOR-UHFFFAOYSA-N
- SMILES： S(CC#N)(C1C=CC(C(F)(F)F)=CN=1)(=O)=O
Computed Properties
- Exact Mass: 250.00200
- Monoisotopic Mass: 250.00238307g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 390
- 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
- XLogP3: 1.1
- Topological Polar Surface Area: 79.2?2
Experimental Properties
- Melting Point: 108 °C
- PSA: 79.20000
- LogP: 2.47848
Acetonitrile,2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]- Related Literature
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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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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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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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