Cas no 169696-83-7 (3,5-Bis(methylsulfonyl)benzonitrile)
169696-83-7 structure
Product Name:3,5-Bis(methylsulfonyl)benzonitrile
CAS No:169696-83-7
MF:C9H9NO4S2
MW:259.30205988884
CID:135924
PubChem ID:2761101
Update Time:2025-04-19
3,5-Bis(methylsulfonyl)benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Bis(methylsulfonyl)benzonitrile
- Benzonitrile, 2,5-bis[(methylsulfonyl)oxy]-
- 3,5-BIS(METHYLSULPHONYL)BENZONITRILE
- 849924-84-1
- MFCD04037977
- CS-0365848
- 3,5-dimethanesulfonylbenzonitrile
- AKOS015852475
- 169696-83-7
- DTXSID201294169
-
- Inchi： 1S/C9H9NO4S2/c1-15(11,12)8-3-7(6-10)4-9(5-8)16(2,13)14/h3-5H,1-2H3
- InChI Key： RZFPKGRAQZGUPA-UHFFFAOYSA-N
- SMILES： S(C)(C1C=C(C#N)C=C(C=1)S(C)(=O)=O)(=O)=O
Computed Properties
- Exact Mass: 258.99700
- Monoisotopic Mass: 258.99730012g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 460
- 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: 0.1
- Topological Polar Surface Area: 109?2
Experimental Properties
- PSA: 108.83000
- LogP: 2.52688
3,5-Bis(methylsulfonyl)benzonitrile Security Information
- Hazard Statement： Irritant
-
Hazardous Material Identification：
3,5-Bis(methylsulfonyl)benzonitrile Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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4. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
169696-83-7 (3,5-Bis(methylsulfonyl)benzonitrile) Related Products
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