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

CAS: 25211-86-3 Cat. No.: E107455 분자식: C₂H₈O₇P₂ · H₂O 분자량: 224.04 EC 번호: 629-385-9

등급 & 순도 ≥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

개요

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.

사양

동의어

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

사양 및 순도

≥96%

보관 조건

Room temperature

배송

Normal

순수함

≥96%

이름과 식별자

Pubchem Sid

504767143

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

WGK 독일

2

RTECS

SZ8562100

대체 CAS

2809-21-4

UN 번호

3077

포장 그룹

III

분자량

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
    • 분류 Organic phosphonic acids and derivatives
      • Subclass Bisphosphonates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water.
• 감도: Hygroscopic
• 분자량: 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