Cas no 96722-59-7 (ethyl 4-[(2Z)-2-(2-tert-butoxy-1-chloro-2-oxoethylidene)hydrazinyl]benzoate)
![ethyl 4-[(2Z)-2-(2-tert-butoxy-1-chloro-2-oxoethylidene)hydrazinyl]benzoate structure](https://ossimg.kuujia.com/scimg/97000/96722-59-7x500.png)
96722-59-7 structure
Product Name:ethyl 4-[(2Z)-2-(2-tert-butoxy-1-chloro-2-oxoethylidene)hydrazinyl]benzoate
CAS No:96722-59-7
MF:C15H19ClN2O4
MW:326.775363206863
CID:1986966
PubChem ID:9578030
Update Time:2025-04-21
ethyl 4-[(2Z)-2-(2-tert-butoxy-1-chloro-2-oxoethylidene)hydrazinyl]benzoate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 4-[(2Z)-2-(2-tert-butoxy-1-chloro-2-oxoethylidene)hydrazinyl]benzoate
- LogP
- 96722-59-7
- Benzoic Acid, 4-((1-chloro-2-(1,1-dimethylethoxy)-2-oxoethylidene)hydrazino)-, Ethyl Ester
-
- Inchi： 1S/C15H19ClN2O4/c1-5-21-13(19)10-6-8-11(9-7-10)17-18-12(16)14(20)22-15(2,3)4/h6-9,17H,5H2,1-4H3/b18-12-
- InChI Key： VXCKLHDXOIYAPU-PDGQHHTCSA-N
- SMILES： Cl/C(/C(=O)OC(C)(C)C)=N\NC1C=CC(C(=O)OCC)=CC=1
Computed Properties
- Exact Mass: 326.103335
- Monoisotopic Mass: 326.103335
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 8
- Complexity: 424
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 77
- XLogP3: 5
Experimental Properties
- Density: 1.194
- Boiling Point: 411.88°C at 760 mmHg
- Flash Point: 202.898°C
- Refractive Index: 1.527
ethyl 4-[(2Z)-2-(2-tert-butoxy-1-chloro-2-oxoethylidene)hydrazinyl]benzoate Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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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
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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