Cas no 23767-70-6 (1,1,2,2-Cyclopropanetetracarbonitrile,3-(2-bromophenyl)-)
23767-70-6 structure
Product Name:1,1,2,2-Cyclopropanetetracarbonitrile,3-(2-bromophenyl)-
CAS No:23767-70-6
MF:C13H5BrN4
MW:297.109600782394
CID:285356
PubChem ID:263798
Update Time:2025-04-19
1,1,2,2-Cyclopropanetetracarbonitrile,3-(2-bromophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,1,2,2-Cyclopropanetetracarbonitrile,3-(2-bromophenyl)-
- 3-(2-bromophenyl)cyclopropane-1,1,2,2-tetracarbonitrile
- DTXSID70294873
- NSC-98473
- 23767-70-6
- NSC98473
-
- Inchi： 1S/C13H5BrN4/c14-10-4-2-1-3-9(10)11-12(5-15,6-16)13(11,7-17)8-18/h1-4,11H
- InChI Key： KEUYKQUVYICDPZ-UHFFFAOYSA-N
- SMILES： BrC1C=CC=CC=1C1C(C#N)(C#N)C1(C#N)C#N
Computed Properties
- Exact Mass: 295.96985
- Monoisotopic Mass: 295.97
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 497
- 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: 1.4
- Topological Polar Surface Area: 95.2?2
Experimental Properties
- Density: 1.69
- Boiling Point: 590.5°C at 760 mmHg
- Flash Point: 310.9°C
- Refractive Index: 1.656
- PSA: 95.16
1,1,2,2-Cyclopropanetetracarbonitrile,3-(2-bromophenyl)- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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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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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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