Cas no 55405-39-5 (1,4-Benzenediacetonitrile, 2,3,5,6-tetrachloro-)
55405-39-5 structure
Product Name:1,4-Benzenediacetonitrile, 2,3,5,6-tetrachloro-
CAS No:55405-39-5
MF:C10H4Cl4N2
MW:293.964158058167
CID:352008
PubChem ID:12512829
Update Time:2025-04-19
1,4-Benzenediacetonitrile, 2,3,5,6-tetrachloro- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenediacetonitrile, 2,3,5,6-tetrachloro-
- 2-[2,3,5,6-tetrachloro-4-(cyanomethyl)phenyl]acetonitrile
- DTXSID50500929
- 2,2'-(2,3,5,6-Tetrachloro-1,4-phenylene)diacetonitrile
- 55405-39-5
-
- Inchi： 1S/C10H4Cl4N2/c11-7-5(1-3-15)8(12)10(14)6(2-4-16)9(7)13/h1-2H2
- InChI Key： GPIUFLFQHCBLSX-UHFFFAOYSA-N
- SMILES： ClC1C(=C(CC#N)C(=C(C=1CC#N)Cl)Cl)Cl
Computed Properties
- Exact Mass: 291.91312
- Monoisotopic Mass: 291.912859g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 291
- 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: 3.7
- Topological Polar Surface Area: 47.6?2
Experimental Properties
- PSA: 47.58
1,4-Benzenediacetonitrile, 2,3,5,6-tetrachloro- Related Literature
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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