Pivaloylacetonitrile, 97%

Name: Pivaloylacetonitrile, 97%
Brand: Vaqora Chemicals
SKU: VQ-009723

About Pivaloylacetonitrile, 97%

Pivaloylacetonitrile is a nitrile building block carrying the CAS registry number 59997-51-2, specified at 97% purity. Its molecular formula is C7H11NO and its molecular weight is 125.17 g/mol. Its systematic (IUPAC) name is 4,4-dimethyl-3-oxopentanenitrile. It is also known as Trimethylacetylacetonitrile or 4,4-Dimethyl-3-oxovaleronitrile.

In its supplied form it is white to almost white powder or crystals. Reported physical data include a melting point of 67-70 °C. Store sealed in a dry, well-ventilated location away from incompatible materials. Under GHS it is labelled “Danger”, so handle it with suitable PPE and consult the SDS.

It is commonly used for organic synthesis and API synthesis. It is used across pharmaceutical manufacturing and academic and industrial research.

Available in 25 g, 100 g and 1 kg packs, Pivaloylacetonitrile is dispatched with a Certificate of Analysis (COA) to destinations worldwide.

Typical applications

Organic synthesis
API synthesis

Industries

Specifications & identifiers

Chemical identifiers
Product name	Pivaloylacetonitrile, 97%
Catalogue No.	VQ-009723
CAS Number	59997-51-2
IUPAC name	4,4-dimethyl-3-oxopentanenitrile
Molecular formula	C₇H₁₁NO
Molecular weight	125.17 g/mol
Exact mass	125.0841
Purity / assay	97%
HSN code	29214290
InChIKey	MXZMACXOMZKYHJ-UHFFFAOYSA-N
SMILES	CC(C)(C)C(=O)CC#N
PubChem CID	108871

Physical properties
Physical form	Crystalline
Appearance	White to almost white powder or crystals
Melting point	67-70 °C
LogP (XLogP3)	1.2
H-bond donors / acceptors	0 / 2
TPSA	40.9 Å²
Synonyms	Trimethylacetylacetonitrile, 4,4-Dimethyl-3-oxovaleronitrile, Pentanenitrile, 4,4-dimethyl-3-oxo-, Valeronitrile, 4,4-dimethyl-3-oxo-, 4,4-Dimethyl-3-oxo-pentanenitrile, cyanopinacolone, 1-cyano-3,3-dimethyl-2-butanone, pivalyl acetonitrile, pivaloyl acetonitrile, cyanomethyl tert.-butyl ketone, 2-tert-butylcarbonylacetonitrile

Safety & hazard information (GHS)

Toxic

Harmful / irritant

Signal word: Danger

Hazard statements

H301Toxic if swallowed
H312Harmful in contact with skin
H332Harmful if inhaled
H412Harmful to aquatic life with long lasting effects

Precautionary statements: P261, P264, P270, P271, P273, P280, P301 + P316, P302 + P352, P304 + P340, P317, P321, P330, P362 + P364, P405, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of Pivaloylacetonitrile, 97%?

The CAS Registry Number of Pivaloylacetonitrile, 97% is 59997-51-2. It is also known as Trimethylacetylacetonitrile, 4,4-Dimethyl-3-oxovaleronitrile, Pentanenitrile, 4,4-dimethyl-3-oxo-.

What is the molecular formula and molecular weight of Pivaloylacetonitrile, 97%?

Pivaloylacetonitrile, 97% has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 4,4-dimethyl-3-oxopentanenitrile.

Which grade and pack sizes of Pivaloylacetonitrile, 97% can I order?

We supply Pivaloylacetonitrile, 97% in (97%) grade, in 25 g, 100 g, 1 kg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Pivaloylacetonitrile, 97%?

Yes. Every lot of Pivaloylacetonitrile, 97% is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can Pivaloylacetonitrile, 97% be shipped internationally?

Yes. Pivaloylacetonitrile, 97% is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.