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2-(Dimethoxymethylidene)propanedinitrile , CAS No.64672-72-6

2-(Dimethoxymethylidene)propanedinitrile , CAS No.64672-72-6

Name: 2-(Dimethoxymethylidene)propanedinitrile , CAS No.64672-72-6
SKU: D1046389
Availability: InStock

CAS: 64672-72-6 Cat. No.: D1046389 Summenformel: C₆H₆N₂O₂ Molekulargewicht: 138.13 EG-Nummer: 852-039-5 PubChem CID: 11007970

COA

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Storage

Room temperature

Specifications Namen und Kennungen Documentation Advanced Data Taxonomic Classification 3D-Struktur Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Lösungsrechner Bewertungen

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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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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

Storage

Room temperature

Namen und Kennungen

Kanonisches Lächeln	COC(=C(C#N)C#N)OC
IUPAC Name	2-(dimethoxymethylidene)propanedinitrile
InChIKey	XIHOVMBYUMTLNJ-UHFFFAOYSA-N
INCHI	1S/C6H6N2O2/c1-9-6(10-2)5(3-7)4-8/h1-2H3
Isomere SMILES	COC(=C(C#N)C#N)OC
PubChem CID	11007970
Molekulargewicht	138.13

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.

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📊 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 oxygen compounds
  - Klasse Organooxygen compounds
    - Subclass Ketene acetals

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Klasse	Organooxygen compounds
Subclass	Ketene acetals
Intermediate Tree Nodes	Not available
Direct Parent	Ketene acetals
Alternative Parents	Nitriles Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Ketene acetal or derivatives - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as ketene acetals. These are organic compounds comprising the ketene acetal functional group, with the general structure XC(Y)=C(R3)R4 (R1,R2=H, alkyl, aryl; X,Y=any hetero atom).
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-Struktur

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemische und physikalische Eigenschaften

Molekulargewicht	138.120 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	138.043 Da
Monoisotopic Mass	138.043 Da
Topological Polar Surface Area	66.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	213.000
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

Lösungsrechner

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