Cas no 52214-59-2 (Phenol, 3,5-dichloro-,sodium salt (1:1))
52214-59-2 structure
Product Name:Phenol, 3,5-dichloro-,sodium salt (1:1)
CAS No:52214-59-2
MF:C6H3Cl2NaO
MW:184.983190774918
CID:376548
PubChem ID:23669586
Update Time:2025-04-19
Phenol, 3,5-dichloro-,sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 3,5-dichloro-,sodium salt (1:1)
- sodium 3,5-dichlorophenolate
- 3,5-Dichlorophenol sodium salt
- NS00089993
- DTXSID60200266
- SCHEMBL11224060
- EINECS 257-742-5
- 52214-59-2
-
- Inchi： 1S/C6H4Cl2O.Na/c7-4-1-5(8)3-6(9)2-4;/h1-3,9H;/q;+1/p-1
- InChI Key： GMNRNYDRORPJRI-UHFFFAOYSA-M
- SMILES： ClC1C=C(C=C(C=1)[O-])Cl.[Na+]
Computed Properties
- Exact Mass: 183.94599
- Monoisotopic Mass: 183.946
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 91.7
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 23.1A^2
Experimental Properties
- Boiling Point: 233°C at 760 mmHg
- Flash Point: 106.9°C
- PSA: 23.06
Phenol, 3,5-dichloro-,sodium salt (1:1) Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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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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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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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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