Cas no 71721-81-8 (Dibenzo[b,e][1,4]dioxin-2-carbonitrile,3,7,8-trichloro-)
![Dibenzo[b,e][1,4]dioxin-2-carbonitrile,3,7,8-trichloro- structure](https://ossimg.kuujia.com/scimg/72000/71721-81-8x500.png)
71721-81-8 structure
Product Name:Dibenzo[b,e][1,4]dioxin-2-carbonitrile,3,7,8-trichloro-
CAS No:71721-81-8
MF:C13H4Cl3NO2
MW:312.535360336304
CID:576078
PubChem ID:156212
Update Time:2025-04-19
Dibenzo[b,e][1,4]dioxin-2-carbonitrile,3,7,8-trichloro- Chemical and Physical Properties
Names and Identifiers
-
- Dibenzo[b,e][1,4]dioxin-2-carbonitrile,3,7,8-trichloro-
- Dibenzo(b,e)(1,4)dioxin-2-carbonitrile, 3,7,8-trichloro-
- 3,7,8-trichlorodibenzo-p-dioxin-2-carbonitrile
- DTXSID90221949
- 71721-81-8
-
- Inchi： 1S/C13H4Cl3NO2/c14-7-2-11-10(1-6(7)5-17)18-12-3-8(15)9(16)4-13(12)19-11/h1-4H
- InChI Key： JQCSKZOAFDFNJC-UHFFFAOYSA-N
- SMILES： ClC1C(=CC2=C(C=1)OC1C=C(C#N)C(=CC=1O2)Cl)Cl
Computed Properties
- Exact Mass: 310.93092
- Monoisotopic Mass: 310.930761g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 0
- Complexity: 399
- 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: 5.5
- Topological Polar Surface Area: 42.2?2
Experimental Properties
- PSA: 42.25
Dibenzo[b,e][1,4]dioxin-2-carbonitrile,3,7,8-trichloro- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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4. 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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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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