tert-Butyl cyanoacetate, 98%

Name: tert-Butyl cyanoacetate, 98%
Brand: Vaqora Chemicals
SKU: VQ-009730

About tert-Butyl cyanoacetate, 98%

tert-Butyl cyanoacetate (CAS 1116-98-9) is a nitrile building block offered by Vaqora Chemicals with a typical assay of 97%. The compound has the formula C7H11NO2, corresponding to a molecular weight of 141.17 g/mol. Systematically, it is named tert-butyl 2-cyanoacetate. Alternative names: Cyanoacetic acid tert-butyl ester and Acetic acid, cyano-, 1,1-dimethylethyl ester.

The material typically appears as a colourless to yellow liquid. Recommended storage is at 2–8 °C, with the container kept tightly sealed. The GHS classification uses the signal word “Warning”, so appropriate gloves, eye protection and ventilation are recommended.

Key uses span organic synthesis and API synthesis. Our customers for this product work in pharmaceutical manufacturing and academic and industrial research.

Vaqora Chemicals supplies tert-Butyl cyanoacetate in 5 g, 25 g and 100 g packs, each shipped with a Certificate of Analysis (COA), and exports worldwide.

Typical applications

Organic synthesis
API synthesis

Industries

Specifications & identifiers

Chemical identifiers
Product name	tert-Butyl cyanoacetate, 98%
Catalogue No.	VQ-009730
CAS Number	1116-98-9
IUPAC name	tert-butyl 2-cyanoacetate
Molecular formula	C₇H₁₁NO₂
Molecular weight	141.17 g/mol
Exact mass	141.079
Purity / assay	97%
HSN code	29399900
InChIKey	BFNYNEMRWHFIMR-UHFFFAOYSA-N
SMILES	CC(C)(C)OC(=O)CC#N
PubChem CID	70693

Physical properties
Physical form	Liquid
Appearance	Colourless to yellow liquid
LogP (XLogP3)	1
H-bond donors / acceptors	0 / 3
TPSA	50.1 Å²
Storage	2–8 °C
Synonyms	Cyanoacetic acid tert-butyl ester, Acetic acid, cyano-, 1,1-dimethylethyl ester, Acetic acid, cyano-, tert-butyl ester, 1,1-dimethylethyl cyanoacetate, Acetic acid, 2-cyano-, 1,1-dimethylethyl ester, t-Butyl cyanoacetate, tert-butylcyanoacetate, tert-Butyl 2-Cyanoacetate, tert-Butyl Cyanoacetate, t-butylcyanoacetate, tert-butyl2-cyanoacetate, tert.-Butyl cyanoacetate

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H302Harmful if swallowed

Precautionary statements: P264, P270, P301 + P317, P330, 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 tert-Butyl cyanoacetate, 98%?

The CAS Registry Number of tert-Butyl cyanoacetate, 98% is 1116-98-9. It is also known as Cyanoacetic acid tert-butyl ester, Acetic acid, cyano-, 1,1-dimethylethyl ester, Acetic acid, cyano-, tert-butyl ester.

What is the molecular formula and molecular weight of tert-Butyl cyanoacetate, 98%?

tert-Butyl cyanoacetate, 98% has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is tert-butyl 2-cyanoacetate.

Which grade and pack sizes of tert-Butyl cyanoacetate, 98% can I order?

We supply tert-Butyl cyanoacetate, 98% in (97%) grade, in 5 g, 25 g, 100 g packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with tert-Butyl cyanoacetate, 98%?

Yes. Every lot of tert-Butyl cyanoacetate, 98% 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 tert-Butyl cyanoacetate, 98% be shipped internationally?

Yes. tert-Butyl cyanoacetate, 98% 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.

How should tert-Butyl cyanoacetate, 98% be stored?

2–8 °C. Keep the container tightly closed and refer to the SDS for full handling guidance.