Disodium Phthalate - ≥95%(T) , CAS No.15968-01-1

CAS: 15968-01-1 Cat. No.: D154289 Formule: C₈H₄Na₂O₄ Poids moléculaire: 210.1 Numéro CE: 240-106-6

GRADE & PURITY ≥95%(T)

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

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

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

Spécifications et pureté

≥95%(T)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%(T)

Noms et identifiants

Pubchem Sid

504755796

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755796

Sourires canoniques

C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

IUPAC Name

disodium;phthalate

InChIKey

HQWKKEIVHQXCPI-UHFFFAOYSA-L

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

Isomères SMILES

C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

Poids moléculaire

210.1

Reaxy-Rn

3919451

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3919451&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Solubilité: Soluble in water
• Poids moléculaire: 210.090 g/mol
• 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

XLogP3