Cas no 1477-04-9 (Benzeneacetic acid,4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-, sodium salt (1:1))
1477-04-9 structure
Product Name:Benzeneacetic acid,4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-, sodium salt (1:1)
CAS No:1477-04-9
MF:C14H8I3NaO4
MW:643.914112091064
CID:117723
PubChem ID:23696732
Update Time:2025-04-18
Benzeneacetic acid,4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid,4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-, sodium salt (1:1)
- sodium,2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetate
- sodium 4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenylacetate
- 4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodobenzeneacetic acid sodium salt
- 1477-04-9
- SCHEMBL1652870
- UNII-3HK9045D54
- 3HK9045D54
- sodium;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetate
- AKOS026750154
- Tiratricol sodium
- DTXSID90163779
- NS00081485
- EINECS 216-025-7
- Benzeneacetic acid, 4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-, sodiuM salt (1:1)
-
- Inchi： 1S/C14H9I3O4.Na/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20;/h1-4,6,18H,5H2,(H,19,20);/q;+1/p-1
- InChI Key： BBBAIWCYEJXUMH-UHFFFAOYSA-M
- SMILES： IC1C=C(C=C(C=1OC1C=CC(=C(C=1)I)O)I)CC(=O)[O-].[Na+]
Computed Properties
- Exact Mass: 643.74404
- Monoisotopic Mass: 621.763488
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 356
- 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
- Topological Polar Surface Area: 66.8
Experimental Properties
- Density: 2.466
- Boiling Point: 531.6°Cat760mmHg
- Flash Point: 275.3°C
- PSA: 69.59
Benzeneacetic acid,4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-, sodium salt (1:1) Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
1477-04-9 (Benzeneacetic acid,4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-, sodium salt (1:1)) Related Products
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