Cas no 4640-70-4 (1,4-DI(CYANOACETYL)BENZENE)
1,4-DI(CYANOACETYL)BENZENE structure
Product Name:1,4-DI(CYANOACETYL)BENZENE
CAS No:4640-70-4
MF:C12H8N2O2
MW:212.204122543335
CID:930355
PubChem ID:15324071
Update Time:2025-04-19
1,4-DI(CYANOACETYL)BENZENE Chemical and Physical Properties
Names and Identifiers
-
- 1,4-DI(CYANOACETYL)BENZENE
- 1,4-Bis-(α-Cyanoacetyl)-benzol
- β,β'-DIOXO-1,4-BENZENEDIPROPANENITRILE
- 3,3'-(1,4-phenylene)bis(3-oxopropanenitrile)
- terephthaloyl acetonitrile
- I(2)1,I(2)4-Dioxo-1,4-benzenedipropanenitrile
- 4640-70-4
- 3-[4-(2-cyanoacetyl)phenyl]-3-oxopropanenitrile
- SCHEMBL395103
- DTXSID301280569
-
- Inchi： 1S/C12H8N2O2/c13-7-5-11(15)9-1-2-10(4-3-9)12(16)6-8-14/h1-4H,5-6H2
- InChI Key： UGDGBJUIWOFRND-UHFFFAOYSA-N
- SMILES： O=C(CC#N)C1C=CC(C(CC#N)=O)=CC=1
Computed Properties
- Exact Mass: 212.05900
- Monoisotopic Mass: 212.058577502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 336
- 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: 1.1
- Topological Polar Surface Area: 81.7?2
Experimental Properties
- PSA: 81.72000
- LogP: 1.87936
1,4-DI(CYANOACETYL)BENZENE Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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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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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
4640-70-4 (1,4-DI(CYANOACETYL)BENZENE) Related Products
- 21667-63-0(3-(2-Cyanoacetyl)benzonitrile)
- 613-57-0(2-Naphthalenepropanenitrile,b-oxo-)
- 78443-35-3(4-phenylbenzoylacetonitrile)
- 7391-28-8(4-Methylbenzoylacetonitrile)
- 39528-62-6(3-(4-tert-butylphenyl)-3-oxopropanenitrile)
- 5343-98-6(4-Oxo-4-phenylbutanenitrile)
- 39528-57-9(1-Naphthalenepropanenitrile,b-oxo-)
- 53882-81-8(3-(3-Methylphenyl)-3-oxopropanenitrile)
- 614-16-4(3-oxo-3-phenyl-propanenitrile)
- 10413-00-0(Benzenepentanenitrile, d-oxo-)
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