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MedKoo Cat#: 591825 | Name: Adiponitrile
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Adiponitrile is is a key intermediate in the synthesis of the polyamide Nylon 66 and is produced industrially on a large scale.

Chemical Structure

Adiponitrile
CAS#111-69-3

Theoretical Analysis

MedKoo Cat#: 591825

Name: Adiponitrile

CAS#: 111-69-3

Chemical Formula: C6H8N2

Exact Mass: 108.0687

Molecular Weight: 108.14

Elemental Analysis: C, 66.64; H, 7.46; N, 25.90

Price and Availability

Size Price Availability Quantity
25mL USD 350.00 2 Weeks
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Related CAS #
No Data
Synonym
Adiponitrile; AI3-11080; AI3 11080; AI311080
IUPAC/Chemical Name
Adiponitrile
InChi Key
BTGRAWJCKBQKAO-UHFFFAOYSA-N
InChi Code
InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2
SMILES Code
N#CCCCCC#N
Appearance
liquid
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 108.14 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
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Chemistry. 2015 Nov 2;21(45):16066-72. doi: 10.1002/chem.201502547. Epub 2015 Sep 23. PubMed PMID: 26394897. 11: Becker L, Arndt P, Spannenberg A, Jiao H, Rosenthal U. Formation of tri- and tetranuclear titanacycles through decamethyltitanocene-mediated intermolecular C-C coupling of dinitriles. Angew Chem Int Ed Engl. 2015 Apr 27;54(18):5523-6. doi: 10.1002/anie.201500109. Epub 2015 Apr 1. PubMed PMID: 25833142. 12: Jagadeesh RV, Junge H, Beller M. Green synthesis of nitriles using non-noble metal oxides-based nanocatalysts. Nat Commun. 2014 Jul 9;5:4123. doi: 10.1038/ncomms5123. PubMed PMID: 25005518. 13: Wang X, Liu M, Xu L, Wang Q, Chen J, Ding J, Wu H. Palladium-catalyzed addition of potassium aryltrifluoroborates to aliphatic nitriles: synthesis of alkyl aryl ketones, diketone compounds, and 2-arylbenzo[b]furans. J Org Chem. 2013 Jun 7;78(11):5273-81. doi: 10.1021/jo400433m. Epub 2013 May 28. 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