Cas no 85721-24-0 (5-Thiazoleacetic acid,4-(4-chlorophenyl)-2-phenyl-, calcium salt (2:1))
85721-24-0 structure
Product Name:5-Thiazoleacetic acid,4-(4-chlorophenyl)-2-phenyl-, calcium salt (2:1)
CAS No:85721-24-0
MF:C34H22CaCl2N2O4S2
MW:697.663483142853
CID:722809
Update Time:2024-01-31
5-Thiazoleacetic acid,4-(4-chlorophenyl)-2-phenyl-, calcium salt (2:1) Chemical and Physical Properties
Names and Identifiers
-
- 5-Thiazoleacetic acid,4-(4-chlorophenyl)-2-phenyl-, calcium salt (2:1)
- calcium bis[4-(p-chlorophenyl)-2-phenylthiazol-5-acetate]
- calcium,2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetate
- EINECS 288-435-4
- Fentiazac calcium salt
- UNII-87K2GQ2Q21
- Bis[4-(4-chlorophenyl)-2-phenyl-5-thiazoleacetic acid]calcium salt
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- Inchi： 1S/2C17H12ClNO2S.Ca/c2*18-13-8-6-11(7-9-13)16-14(10-15(20)21)22-17(19-16)12-4-2-1-3-5-12;/h2*1-9H,10H2,(H,20,21);/q;;+2/p-2
- InChI Key： WGCKYSZZBQAHJJ-UHFFFAOYSA-L
- SMILES： [Ca+2].S1C(CC([O-])=O)=C(C2=CC=C(Cl)C=C2)N=C1C1=CC=CC=C1.S1C(CC([O-])=O)=C(C2=CC=C(Cl)C=C2)N=C1C1=CC=CC=C1
Computed Properties
- Exact Mass: 696.00200
- Monoisotopic Mass: 696.002
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 45
- Rotatable Bond Count: 6
- Complexity: 375
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
Experimental Properties
- Boiling Point: 556.2 °C at 760 mmHg
- Flash Point: 290.2 °C
- PSA: 162.52000
- LogP: 6.84580
5-Thiazoleacetic acid,4-(4-chlorophenyl)-2-phenyl-, calcium salt (2:1) Security Information
- Storage Condition：Warehouse ventilation and low temperature drying
5-Thiazoleacetic acid,4-(4-chlorophenyl)-2-phenyl-, calcium salt (2:1) Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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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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