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Disodium Phthalate - >95.0%(T), high purity , CAS No.15968-01-1
Basic Description
Synonyms
Disodium phthalate | AS-67578 | 1,2-Benzenedicarboxylic acid, sodium salt (1:2) | P0400 | W-110422 | Phthalic acid,sodium salt | disodium;phthalate | QB14YV193C | O-PHTHALIC ACID DISODIUM SALT | EC 240-106-6 | DTXSID60889651 | HQWKKEIVHQXCPI-UHFFFAOYSA-L
Specifications & Purity
≥95%(T)
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids
Alternative Parents
Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acid salts Carboxylic acids Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoic acid - Benzoyl - Dicarboxylic acid or derivatives - Carboxylic acid salt - Organic alkali metal salt - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
504755796
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504755796
IUPAC Name
disodium;phthalate
INCHI
InChI=1S/C8H6O4.2Na/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;/q;2*+1/p-2
InChIKey
HQWKKEIVHQXCPI-UHFFFAOYSA-L
Smiles
C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].[Na+].[Na+]
Isomeric SMILES
C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].[Na+].[Na+]
Molecular Weight
210.1
Reaxy-Rn
3919451
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3919451&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in water
Molecular Weight
210.090 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
209.99 Da
Monoisotopic Mass
209.99 Da
Topological Polar Surface Area
80.300 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
166.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
3
Citations of This Product
1.
Yong-Hui Zhang, Zuo-Bei Wang, Adenike Bernice Eloise Adeoye, Yi-Fan Wang, You-Gui Huang, Xin Ye, Wei Wang.
(2025)
Continuous phosphorus elimination from low concentration wastewater by a calcium-doped lanthanum carbonate adsorbent. SEPARATION AND PURIFICATION TECHNOLOGY,
360
(131204).
2.
Zhuowen Wang, Sibei Liu, Songhao Cui, Baojian Jing, Shan Qiu, Fengxia Deng.
(2024)
Electrochemical disinfection boosting by a pulsed-assisted MXene-based cathode. ELECTROCHIMICA ACTA,
489
(144232).
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2 Citations
H2322351