Etidronic acid monohydrate(HEDP) - ≥96% , CAS No.25211-86-3

CAS: 25211-86-3 Cat. No.: E107455 Peso molecular: 224.04 Número EC: 629-385-9

GRADE & PURITY ≥96%

Synonyms

DTXSID8040800 | Etidronic acid monohydrate RS [USP] | FT-0647925 | Etidronate hydrate | (1-hydroxy-1-phosphonoethyl)phosphonic acid;hydrate | NCGC00255645-01 | 4SQ327I33M | 1-Hydroxyethylidene-1,1-diphosphonic acid monohydrate | Q27260444 | CAS-25211-86-3

Storage

Room temperature

Shipped In

Normal

Descripción general

Product Application:

Etidronic acid monohydrate also known as 1-hydroxyethylidenediphosphonic acid (HEDP) is an organophosphonic acid that can be used to surface functionalize NaY molecular sieves. HEDP/NaY can be used as a catalyst for n-butyl acetate production via esterification. It can be also employed as a chelating agent in the synthesis of metal-ligand complexes.

Specifications

Sinónimos

DTXSID8040800 | Etidronic acid monohydrate RS [USP] | FT-0647925 | Etidronate hydrate | (1-hydroxy-1-phosphonoethyl)phosphonic acid;hydrate | NCGC00255645-01 | 4SQ327I33M | 1-Hydroxyethylidene-1, 1-diphosphonic acid monohydrate | Q27260444 | CAS-25211-86-3

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 504767143
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767143
• Sonrisas canónicas: CC(O)(P(=O)(O)O)P(=O)(O)O.O
• IUPAC Name: (1-hydroxy-1-phosphonoethyl)phosphonic acid;hydrate
• InChIKey: KKNZXUHBWLPUFN-UHFFFAOYSA-N
• INCHI: 1S/C2H8O7P2.H2O/c1-2(3,10(4,5)6)11(7,8)9;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);1H2
• Isómeros SMILES: CC(O)(P(=O)(O)O)P(=O)(O)O.O
• WGK Alemania: 2
• RTECS: SZ8562100
• CAS alternativo: 2809-21-4
• Número ONU: 3077
• Grupo de embalaje: III
• Peso molecular: 224.04
• Reaxy-Rn: 6008350
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6008350&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic phosphonic acids and derivatives
      • Subclass Bisphosphonates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic phosphonic acids and derivatives
• Subclass: Bisphosphonates
• Intermediate Tree Nodes: Not available
• Direct Parent: Bisphosphonates
• Alternative Parents: Organic phosphonic acids Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Bisphosphonate - Organophosphonic acid - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bisphosphonates. These are organic compounds containing two phosphonate groups linked together through a carbon atoms.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water.
• Sensibilidad: Hygroscopic
• Peso molecular: 224.040 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 223.985 Da
• Monoisotopic Mass: 223.985 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 211.000
• 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: 2

XLogP3

Referencias

1. Baining Lin, Yuxin Zhang, Yifan Zhu, Yingping Zou, Yingjie Hu, Xuhong Du, Huasheng Xie, Kang Wang, Yonghua Zhou.  (2020)  Phosphor-doped graphitic carbon nitride-supported Pd as a highly efficient catalyst for styrene hydrogenation.  CATALYSIS COMMUNICATIONS,      [PMID:] [10.1016/j.catcom.2020.106094]