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(1-Ethoxyethylidene)malononitrile - 98%, high purity , CAS No.5417-82-3

COA

Grade & Purity:

≥98%

Cas Number: 5417-82-3
Molecular Weight: 136.15
EC Number: 226-521-5
MDL number: MFCD00001852
PubChem CID: 79450
PubChem SID: 504755374

In stock

Item Number

W133904

Grouped product items
SKU	Size	Availability	Price
W133904-1g	1g	5	$9.90
W133904-5g	5g	2	$25.90
W133904-10g	10g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$39.90
W133904-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$75.90
W133904-100g	100g	10	$188.90
W133904-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$846.90

Basic Description

Synonyms	5417-82-3 \| (1-Ethoxyethylidene)malononitrile \| 2-(1-Ethoxyethylidene)malononitrile \| 2-(1-ethoxyethylidene)propanedinitrile \| 1-Ethoxyethylidenemalononitrile \| Propanedinitrile, (1-ethoxyethylidene)- \| (1-Ethoxyethylidene)propanedinitrile \| DG9PY6W3QK \| Propanedinitrile
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	description： (1-Ethoxyethylidene)malononitrile is also referred as 2-(1-ethoxyethylidene)malononitrile. application： (1-Ethoxyethylidene)malononitrile was used in the synthesis of benzyl 5-amino-4-cyano-3-methyl-1H pyrazole-1-carboxylate and 2-amino-6-mercaptopyridine-3,5-dicarbonitrile derivatives.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Organic cyanides

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Organic cyanides
Intermediate Tree Nodes	Not available
Direct Parent	Nitriles
Alternative Parents	Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Nitrile - Carbonitrile - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
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

Names and Identifiers

Pubchem Sid	504755374
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755374
IUPAC Name	2-(1-ethoxyethylidene)propanedinitrile
INCHI	InChI=1S/C7H8N2O/c1-3-10-6(2)7(4-8)5-9/h3H2,1-2H3
InChIKey	BOSVWXDDFBSSIZ-UHFFFAOYSA-N
Smiles	CCOC(=C(C#N)C#N)C
Isomeric SMILES	CCOC(=C(C#N)C#N)C
WGK Germany	3
RTECS	TY1510000
PubChem CID	79450
Molecular Weight	136.15

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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8 results found

Lot Number	Certificate Type	Date	Item
H1806075	Certificate of Analysis	Jan 23, 2024	W133904
C2209422	Certificate of Analysis	Dec 22, 2023	W133904
C2209433	Certificate of Analysis	Dec 22, 2023	W133904
C2209369	Certificate of Analysis	Dec 22, 2023	W133904
C2209354	Certificate of Analysis	Dec 22, 2023	W133904
C2209391	Certificate of Analysis	Dec 22, 2023	W133904
C2209432	Certificate of Analysis	Dec 22, 2023	W133904
J1618055	Certificate of Analysis	May 12, 2022	W133904

Chemical and Physical Properties

Melt Point(°C)	90-92 °C (lit.)
Molecular Weight	136.150 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	136.064 Da
Monoisotopic Mass	136.064 Da
Topological Polar Surface Area	56.800 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	217.000
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

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