Cas no 76437-39-3 (Benzonitrile, 2,3,5,6-tetrafluoro-4-methyl-)
76437-39-3 structure
Product Name:Benzonitrile, 2,3,5,6-tetrafluoro-4-methyl-
CAS No:76437-39-3
MF:C8H3F4N
MW:189.10973572731
CID:537792
PubChem ID:11788735
Update Time:2025-04-19
Benzonitrile, 2,3,5,6-tetrafluoro-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 2,3,5,6-tetrafluoro-4-methyl-
- 2,3,5,6-tetrafluoro-4-methylbenzonitrile
- 4-methyl-2,3,5,6-tetrafluorobenzonitrile
- 76437-39-3
- 4-cyano-2,3,5,6-tetrafluorotoluene
- SCHEMBL1808331
- starbld0013946
- NUSQQHOHSBCDQX-UHFFFAOYSA-N
- DTXSID10472653
-
- Inchi： 1S/C8H3F4N/c1-3-5(9)7(11)4(2-13)8(12)6(3)10/h1H3
- InChI Key： NUSQQHOHSBCDQX-UHFFFAOYSA-N
- SMILES： FC1C(=C(C#N)C(=C(C=1C)F)F)F
Computed Properties
- Exact Mass: 189.02019
- Monoisotopic Mass: 189.02016175g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 220
- 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: 2.4
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- PSA: 23.79
Benzonitrile, 2,3,5,6-tetrafluoro-4-methyl- Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
76437-39-3 (Benzonitrile, 2,3,5,6-tetrafluoro-4-methyl-) Related Products
- 1835-49-0(Tetrafluoroterephthalonitrile)
- 64248-64-2(2,5-Difluorobenzonitrile)
- 85070-67-3(2-Fluoro-4-methylbenzonitrile)
- 3939-09-1(2,4-Difluorobenzonitrile)
- 96606-37-0(2,4,6-Trifluorobenzonitrile)
- 98349-22-5(2,4,5-Trifluorobenzonitrile)
- 16582-93-7(2,3,4,5-Tetrafluorobenzonitrile)
- 21524-39-0(2,3-Difluorobenzonitrile)
- 2377-81-3(2,4,5,6-Tetrafluoroisophthalonitrile)
- 773-82-0(Pentafluorobenzonitrile)
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