Cas no 62568-08-5 (Titanium, tris[2-(1H-pyrazol-1-yl)phenyl]-)
![Titanium, tris[2-(1H-pyrazol-1-yl)phenyl]- structure](https://ossimg.kuujia.com/scimg/63000/62568-08-5x500.png)
62568-08-5 structure
Product Name:Titanium, tris[2-(1H-pyrazol-1-yl)phenyl]-
CAS No:62568-08-5
MF:C27H21N6Ti
MW:477.362845182419
CID:439918
PubChem ID:78065331
Update Time:2025-04-19
Titanium, tris[2-(1H-pyrazol-1-yl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- Titanium, tris[2-(1H-pyrazol-1-yl)phenyl]-
- 1-phenylpyrazole,titanium(3+)
- Titanium(3+) tris[2-(1H-pyrazol-1-yl)benzen-1-ide]
- 62568-08-5
- DTXSID30807408
-
- Inchi： 1S/3C9H7N2.Ti/c3*1-2-5-9(6-3-1)11-8-4-7-10-11;/h3*1-5,7-8H;/q3*-1;+3
- InChI Key： QEPVVRINQFYMQC-UHFFFAOYSA-N
- SMILES： [Ti+3].N1(C=CC=N1)C1[C-]=CC=CC=1.N1(C=CC=N1)C1[C-]=CC=CC=1.N1(C=CC=N1)C1[C-]=CC=CC=1
Computed Properties
- Exact Mass: 475.13563
- Monoisotopic Mass: 477.1307104g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 34
- Rotatable Bond Count: 3
- Complexity: 226
- Covalently-Bonded Unit Count: 4
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 53.5?2
Experimental Properties
- PSA: 53.46
Titanium, tris[2-(1H-pyrazol-1-yl)phenyl]- Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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