Cas no 53479-23-5 (Titanium,dichlorobis(1-phenyl-1,3-butanedionato-kO,kO')- (9CI))
53479-23-5 structure
Product Name:Titanium,dichlorobis(1-phenyl-1,3-butanedionato-kO,kO')- (9CI)
CAS No:53479-23-5
MF:C20H18Cl2O4Ti
MW:441.127524852753
CID:373737
PubChem ID:5486841
Update Time:2025-04-19
Titanium,dichlorobis(1-phenyl-1,3-butanedionato-kO,kO')- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Titanium,dichlorobis(1-phenyl-1,3-butanedionato-kO,kO')- (9CI)
- (E)-3-oxo-1-phenylbut-1-en-1-olate,titanium(4+),dichloride
- dichlorobis(1-phenyl-1,3-butanedionato)titanium (IV)
- (E)-3-oxo-1-phenylbut-1-en-1-olate;titanium(4+);dichloride
- 53479-23-5
- Ti-Bzac-Cl2
- Titanium, dichlorobis(1-phenyl-1,3-butanedionato-O,O')-
-
- Inchi： 1S/2C10H10O2.2ClH.Ti/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;;;/h2*2-7,12H,1H3;2*1H;/q;;;;+4/p-4/b2*10-7+;;;
- InChI Key： YLQPQLYVHPRJKH-FHPZIRFBSA-J
- SMILES： [Ti+4].[Cl-].[Cl-].[O-]/C(=C/C(C)=O)/C1C=CC=CC=1.[O-]/C(=C/C(C)=O)/C1C=CC=CC=1
Computed Properties
- Exact Mass: 438.01094
- Monoisotopic Mass: 440.006162
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 27
- Rotatable Bond Count: 4
- Complexity: 188
- Covalently-Bonded Unit Count: 5
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 80.3
Experimental Properties
- Boiling Point: 315.5°Cat760mmHg
- Flash Point: 133.7°C
- PSA: 80.26
Titanium,dichlorobis(1-phenyl-1,3-butanedionato-kO,kO')- (9CI) Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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