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

CAS: 25211-86-3 Cat. No.: E107455 Formula: C₂H₈O₇P₂ · H₂O Molecular Weight: 224.04 EC Number: 629-385-9

GRADE & PURITY ≥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

Overview

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

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(p Show more

Specifications & Purity

≥96%

Storage

Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

Pubchem Sid

504767143

Pubchem Sid Url

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

Canonical Smiles

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

Isomeric SMILES

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

WGK Germany

2

RTECS

SZ8562100

Alternate CAS

2809-21-4

UN Number

3077

Packing Group

III

Molecular Weight

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
    • Class Organic phosphonic acids and derivatives
      • Subclass Bisphosphonates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water.
• Sensitivity: Hygroscopic
• Molecular Weight: 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