Cas no 823791-63-5 (Benzene, 2-chloro-1-isocyanato-3,5-bis(trifluoromethyl)-)
823791-63-5 structure
Product Name:Benzene, 2-chloro-1-isocyanato-3,5-bis(trifluoromethyl)-
CAS No:823791-63-5
MF:C9H2ClF6NO
MW:289.561702251434
CID:693316
PubChem ID:71418982
Update Time:2025-04-19
Benzene, 2-chloro-1-isocyanato-3,5-bis(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 2-chloro-1-isocyanato-3,5-bis(trifluoromethyl)-
- 2-chloro-1-isocyanato-3,5-bis(trifluoromethyl)benzene
- DTXSID00838264
- 823791-63-5
- JBGIAJUEBREQGI-UHFFFAOYSA-N
-
- Inchi： 1S/C9H2ClF6NO/c10-7-5(9(14,15)16)1-4(8(11,12)13)2-6(7)17-3-18/h1-2H
- InChI Key： JBGIAJUEBREQGI-UHFFFAOYSA-N
- SMILES： ClC1=C(C=C(C(F)(F)F)C=C1C(F)(F)F)N=C=O
Computed Properties
- Exact Mass: 288.9729104g/mol
- Monoisotopic Mass: 288.9729104g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 348
- 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: 5.1
- Topological Polar Surface Area: 29.4?2
Benzene, 2-chloro-1-isocyanato-3,5-bis(trifluoromethyl)- 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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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
823791-63-5 (Benzene, 2-chloro-1-isocyanato-3,5-bis(trifluoromethyl)-) Related Products
- 69922-27-6(2-Fluoro-5-(trifluoromethyl)phenyl isocyanate)
- 2285-12-3(2-(Trifluoromethyl)phenyl isocyanate)
- 16588-74-2(1-isocyanato-3,5-bis(trifluoromethyl)benzene)
- 1548-13-6(4-(Trifluoro-methyl)phenyl isocyanate)
- 51903-64-1(4-Methyl-3-(trifluoromethyl)phenylisocyanate)
- 143782-18-7(Benzonitrile, 4-isocyanato-2-(trifluoromethyl)-)
- 302912-19-2(3-Fluoro-5-trifluoromethylphenyl isocyanate)
- 190774-54-0(4-Fluoro-2-(trifluoromethyl)phenyl Isocyanate)
- 139057-86-6(4-FLUORO-3-(TRIFLUOROMETHYL)PHENYL ISOCYANATE)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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