Cas no 136290-41-0 (1,2-Benzenedicarbonitrile, 4-bromo-3,5,6-trifluoro-)
136290-41-0 structure
Product Name:1,2-Benzenedicarbonitrile, 4-bromo-3,5,6-trifluoro-
CAS No:136290-41-0
MF:C8BrF3N2
MW:260.998210906982
CID:1239373
PubChem ID:11129070
Update Time:2025-04-20
1,2-Benzenedicarbonitrile, 4-bromo-3,5,6-trifluoro- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarbonitrile, 4-bromo-3,5,6-trifluoro-
- 136290-41-0
- SCHEMBL8346781
- 4-Bromo-3,5,6-trifluorophthalonitrile
-
- Inchi： 1S/C8BrF3N2/c9-5-6(10)3(1-13)4(2-14)7(11)8(5)12
- InChI Key： QVAMBVIPYOKYFD-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C(C#N)=C(C#N)C=1F)F)F
Computed Properties
- Exact Mass: 259.9197
- Monoisotopic Mass: 259.91970g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 317
- 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: 47.6?2
Experimental Properties
- PSA: 47.58
1,2-Benzenedicarbonitrile, 4-bromo-3,5,6-trifluoro- Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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