Cas no 783-95-9 (nicotinonitrile, 2-chloro-6-methyl-5-nitro-4-(trifluoromethyl)-)
783-95-9 structure
Product Name:nicotinonitrile, 2-chloro-6-methyl-5-nitro-4-(trifluoromethyl)-
CAS No:783-95-9
MF:C8H3ClF3N3O2
MW:265.576530694962
CID:861889
PubChem ID:247447
Update Time:2025-04-19
nicotinonitrile, 2-chloro-6-methyl-5-nitro-4-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- nicotinonitrile, 2-chloro-6-methyl-5-nitro-4-(trifluoromethyl)-
- 2-chloro-6-methyl-5-nitro-4-(trifluoromethyl)pyridine-3-carbonitrile
- 2-chloro-6-methyl-5-nitro-4-(trifluoromethyl)-3-pyridinecarbonitrile
- 2-chloro-6-methyl-5-nitro-4-(trifluoromethyl)nicotinonitrile
- 2-chloro-6-methyl-5-nitro-4-trifluoromethyl-nicotinonitrile
- 6-Chlor-3-nitro-2-methyl-4-trifluormethyl-5-cyan-pyridin
- AC1L6KAB
- CTK5E5746
- NSC61975
- SBB102946
- NSC-61975
- 783-95-9
- MFCD00114346
- AKOS025396839
- DTXSID90289569
- AKOS025212330
-
- Inchi： 1S/C8H3ClF3N3O2/c1-3-6(15(16)17)5(8(10,11)12)4(2-13)7(9)14-3/h1H3
- InChI Key： FNSVJEGHKFDQGK-UHFFFAOYSA-N
- SMILES： ClC1=C(C#N)C(C(F)(F)F)=C(C(C)=N1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 264.98669
- Monoisotopic Mass: 264.9865885g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 361
- 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: 2.6
- Topological Polar Surface Area: 82.5?2
Experimental Properties
- PSA: 79.82
- LogP: 3.36528
nicotinonitrile, 2-chloro-6-methyl-5-nitro-4-(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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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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