Cas no 47593-10-2 (Benzoic acid,4,4'-[1,2-ethanediylbis(oxy)]bis[3,5-dichloro-, dimethyl ester (9CI))
![Benzoic acid,4,4'-[1,2-ethanediylbis(oxy)]bis[3,5-dichloro-, dimethyl ester (9CI) structure](https://ossimg.kuujia.com/scimg/48000/47593-10-2x500.png)
47593-10-2 structure
Product Name:Benzoic acid,4,4'-[1,2-ethanediylbis(oxy)]bis[3,5-dichloro-, dimethyl ester (9CI)
CAS No:47593-10-2
MF:C18H14Cl4O6
MW:468.11216211319
CID:332225
PubChem ID:6452094
Update Time:2025-04-19
Benzoic acid,4,4'-[1,2-ethanediylbis(oxy)]bis[3,5-dichloro-, dimethyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4,4'-[1,2-ethanediylbis(oxy)]bis[3,5-dichloro-, dimethyl ester (9CI)
- dimethyl 4,4'-[1,2-ethanediylbis(oxy)]bis[3,5-dichlorobenzoate]
- methyl 3,5-dichloro-4-[2-(2,6-dichloro-4-methoxycarbonylphenoxy)ethoxy]benzoate
- DTXSID40197206
- Benzoic acid, 4,4'-[1,2-ethanediylbis(oxy)]bis[3,5-dichloro-, dimethyl ester
- NS00031708
- Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bis(3,5-dichlorobenzoate)
- YQG3DWD3C8
- 47593-10-2
- EINECS 256-323-4
-
- Inchi： 1S/C18H14Cl4O6/c1-25-17(23)9-5-11(19)15(12(20)6-9)27-3-4-28-16-13(21)7-10(8-14(16)22)18(24)26-2/h5-8H,3-4H2,1-2H3
- InChI Key： SEJHPENBJIHBLA-UHFFFAOYSA-N
- SMILES： ClC1C=C(C(=O)OC)C=C(C=1OCCOC1C(=CC(C(=O)OC)=CC=1Cl)Cl)Cl
Computed Properties
- Exact Mass: 467.951499g/mol
- Monoisotopic Mass: 465.954449g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 28
- Rotatable Bond Count: 9
- Complexity: 466
- 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: 5.8
- Topological Polar Surface Area: 71.1?2
Benzoic acid,4,4'-[1,2-ethanediylbis(oxy)]bis[3,5-dichloro-, dimethyl ester (9CI) Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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