1,2-Ethylenediphosphonic Acid - ≥97%(T) , CAS No.6145-31-9

CAS: 6145-31-9 Cat. No.: E156032 Molecular Weight: 190.03 EC Number: 620-149-0

COA

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1,2-Ethylenediphosphonic Acid - ≥97%(T) CAS No(6145-31-9) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥97%(T)

Synonyms

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

≥97%(T) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Specifications & Purity

≥97%(T)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%(T)

Names and Identifiers

Pubchem Sid	504755447
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755447
Canonical Smiles	C(CP(=O)(O)O)P(=O)(O)O
IUPAC Name	2-phosphonoethylphosphonic acid
InChIKey	XYJLPCAKKYOLGU-UHFFFAOYSA-N
INCHI	1S/C2H8O6P2/c3-9(4,5)1-2-10(6,7)8/h1-2H2,(H2,3,4,5)(H2,6,7,8)
Isomeric SMILES	C(CP(=O)(O)O)P(=O)(O)O
Molecular Weight	190.03
Reaxy-Rn	1780250
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1780250&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic phosphonic acids and derivatives
    - Subclass Organic phosphonic acids

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic phosphonic acids and derivatives
Subclass	Organic phosphonic acids
Intermediate Tree Nodes	Not available
Direct Parent	Organic phosphonic acids
Alternative Parents	Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Organophosphonic acid - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as organic phosphonic acids. These are organic compounds containing phosphonic acid.
External Descriptors	Not available
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

3D Structure

Associated Targets(Human)

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A498 (42825 Activities)

Lot Number	Certificate Type	Date	Item
E2126107	Certificate of Analysis	Mar 03, 2025	E156032
E2126264	Certificate of Analysis	Mar 03, 2025	E156032
E2126265	Certificate of Analysis	Mar 03, 2025	E156032
E23171043	Certificate of Analysis	May 25, 2023	E156032
E23171109	Certificate of Analysis	May 25, 2023	E156032
E23171154	Certificate of Analysis	May 25, 2023	E156032
E2317187	Certificate of Analysis	May 25, 2023	E156032
E2317942	Certificate of Analysis	May 25, 2023	E156032
E2317950	Certificate of Analysis	May 25, 2023	E156032

Solubility	Soluble in water
Sensitivity	Moisture sensitive
Melt Point(°C)	216.0 - 220.0 °C
Molecular Weight	190.030 g/mol
XLogP3	-3.400
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	189.98 Da
Monoisotopic Mass	189.98 Da
Topological Polar Surface Area	115.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	164.000
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	1