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

CAS: 25211-86-3 Cat. No.: E107455 Fórmula: C₂H₈O₇P₂ · H₂O Peso molecular: 224.04 Número CE: 629-385-9

GRAU & PUREZA ≥96%

Synonyms

Etidronic acid monohydrate RS [USP]|Etidronate hydrate|(1-hydroxy-1-phosphonoethyl)phosphonic acid;hydrate|1-Hydroxyethylidene-1,1-diphosphonic acid monohydrate|Phosphonic acid, (1-hydroxyethylidene)bis-, monohydrate|Etidronic acidmonohydrate|(1-hydroxy-1-phosphonoethyl)phosphonic acid hydrate|(1-Hydroxyethane-1,1-diyl)bis(phosphonic acid) hydrate|(1-Hydroxyethylidene)bisphosphonic acid monohydrate|Etidronic acid monohydrate|ETIDRONIC ACID MONOHYDRATE [USP IMPURITY]|ETIDRONIC ACID MONOHYDRATE [USP-RS]

Storage

Room temperature

Shipped In

Normal

Visão geral

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.

Especificações

Sinónimos

Etidronic acid monohydrate RS [USP] | Etidronate hydrate | (1-hydroxy-1-phosphonoethyl)phosphonic acid;hydrate | 1-Hydroxyethylidene-1,1-diphosphonic acid monohydrate | Phosphonic acid, (1-hydroxyethylidene)bis-, monohydrate | Etidronic acidmonohydrate | (1-hydroxy-1-phosphonoethyl)phosphonic acid hydrate | (1-Hydroxyethane-1,1-diyl)bis(p Show more

Especificações e pureza

≥96%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥96%

Nomes e identificadores

Pubchem Sid

504767143

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767143

Sorrisos canónicos

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

SMILES isoméricas

CC(O)(P(=O)(O)O)P(=O)(O)O.O

WGK Alemanha

2

RTECS

SZ8562100

CAS alternativo

2809-21-4

Número UN

3077

Grupo de embalagem

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
    • Classe Organic phosphonic acids and derivatives
      • Subclass Bisphosphonates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Descrição: 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 ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water.
• Sensibilidade: 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