Cas no 88966-74-9 (2',3',4',5'-tetrachlorobiphenyl-4-carbonitrile)
88966-74-9 structure
Product Name:2',3',4',5'-tetrachlorobiphenyl-4-carbonitrile
CAS No:88966-74-9
MF:C13H5Cl4N
MW:316.997499227524
CID:1935443
PubChem ID:184914
Update Time:2025-04-21
2',3',4',5'-tetrachlorobiphenyl-4-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2',3',4',5'-tetrachlorobiphenyl-4-carbonitrile
- 4-(2,3,4,5-tetrachlorophenyl)benzonitrile
- DTXSID20237457
- NS00123120
- 4'-cyano-2,3,4,5-tetrachlorobiphenyl
- 88966-74-9
- DTXCID20159948
-
- Inchi: 1S/C13H5Cl4N/c14-10-5-9(11(15)13(17)12(10)16)8-3-1-7(6-18)2-4-8/h1-5H
- InChI Key: LFQNZUJEPGYSSQ-UHFFFAOYSA-N
- SMILES: ClC1C(=C(C(=CC=1C1C=CC(C#N)=CC=1)Cl)Cl)Cl
Computed Properties
- Exact Mass: 316.915
- Monoisotopic Mass: 314.918
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 331
- 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: 6.1
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- Density: 1.55
- Boiling Point: 426.1°C at 760 mmHg
- Flash Point: 181.1°C
- Refractive Index: 1.658
2',3',4',5'-tetrachlorobiphenyl-4-carbonitrile Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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