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Dimethylmalononitrile - ≥98%, high purity , CAS No.7321-55-3

COA

Grade & Purity:

≥98%

Cas Number: 7321-55-3
Molecular Weight: 94.12
MDL number: MFCD01321253
PubChem CID: 23742
PubChem SID: 504753141

In stock

Item Number

D304504

Grouped product items
SKU	Size	Availability	Price
D304504-250mg	250mg	3	$9.90
D304504-1g	1g	3	$22.90
D304504-5g	5g	3	$86.90
D304504-25g	25g	3	$391.90
D304504-100g	100g	2	$1,408.90

View related series

C-X (non halogen) bonding reaction (132)

Basic Description

Synonyms	MFCD01321253 \| 2,2-Dicyanopropane \| D5514 \| NSC 86109 \| PS-17798 \| DKA7D8BU8C \| 2,2-Dimethylmalononitrile # \| Dimethyldicyanomethane \| Propanedinitrile,2,2-dimethyl- \| Propanedinitrile, dimethyl- \| EN300-749626 \| AKOS015912471 \| Dimethyl malononitrile \| D
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Product Application: Dimethylmalononitrile may be employed as a starting reagent in the synthesis of bisoxazolines and (4′S,5′S)-2,2-bis[4′-hydroxymethyl-5′-phenyl-1′,3′-oxazolin-2′-yl]propane.

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 Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - 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	504753141
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504753141
IUPAC Name	2,2-dimethylpropanedinitrile
INCHI	InChI=1S/C5H6N2/c1-5(2,3-6)4-7/h1-2H3
InChIKey	BCMJJXWXMZYZKN-UHFFFAOYSA-N
Smiles	CC(C)(C#N)C#N
Isomeric SMILES	CC(C)(C#N)C#N
Molecular Weight	94.12
Reaxy-Rn	1740212
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1740212&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
B2419174	Certificate of Analysis	Nov 10, 2022	D304504
B23091005	Certificate of Analysis	Nov 10, 2022	D304504
B2309965	Certificate of Analysis	Nov 10, 2022	D304504
B2309794	Certificate of Analysis	Nov 10, 2022	D304504
B23091007	Certificate of Analysis	Nov 10, 2022	D304504
B2309985	Certificate of Analysis	Nov 10, 2022	D304504

Chemical and Physical Properties

Sensitivity	Air Sensitive
Boil Point(°C)	120°C\|24.8mmHg(lit.)
Melt Point(°C)	34°C(lit.)
Molecular Weight	94.110 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	94.0531 Da
Monoisotopic Mass	94.0531 Da
Topological Polar Surface Area	47.600 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	131.000
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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