2-(4-Isobutylphenyl)propiononitrile

Name: 2-(4-Isobutylphenyl)propiononitrile
Brand: Vaqora Chemicals
SKU: VQ-037623

About 2-(4-Isobutylphenyl)propiononitrile

2-(4-Isobutylphenyl)propiononitrile (CAS 58609-73-7) is an impurity of Ibuprofen offered by Vaqora Chemicals. Its molecular formula is C13H17N and its molecular weight is 187.28 g/mol. Systematically, it is named 2-[4-(2-methylpropyl)phenyl]propanenitrile. Alternative names: 2-(4-isobutylphenyl)propanenitrile and 2-(4-Isobutylphenyl)propionitrile.

It is supplied as a solid. Keep the vial tightly closed, protected from light and humidity, at the temperature stated on the Certificate of Analysis. Under GHS it is labelled “Warning”, so handle it with suitable PPE and consult the SDS.

As a characterised impurity of Ibuprofen, it is used for analytical method development, method validation (AMV) and routine quality-control testing, and it supports ANDA and DMF regulatory filings. Our customers for this product work in pharmaceutical manufacturing and academic and industrial research.

Standard pack sizes are 10 mg, 25 mg, 50 mg and 100 mg, and every batch ships with a Certificate of Analysis (COA) and we export worldwide.

Typical applications

Analytical method development
Method validation (AMV)
QC release testing
ANDA / DMF filings

Industries

Related to Ibuprofen

View every impurity, metabolite and intermediate we list for Ibuprofen.

Ibuprofen impurities

Specifications & identifiers

Chemical identifiers
Product name	2-(4-Isobutylphenyl)propiononitrile
Catalogue No.	VQ-037623
CAS Number	58609-73-7
IUPAC name	2-[4-(2-methylpropyl)phenyl]propanenitrile
Molecular formula	C₁₃H₁₇N
Molecular weight	187.28 g/mol
Exact mass	187.1361
Grade	Reference Standard
HSN code	38229090
InChIKey	PKQKHWNHCKNYSW-UHFFFAOYSA-N
SMILES	CC(C)CC1=CC=C(C=C1)C(C)C#N
PubChem CID	108374

Physical properties
Physical form	Solid
LogP (XLogP3)	3.7
H-bond donors / acceptors	0 / 1
TPSA	23.8 Å²
Synonyms	2-(4-isobutylphenyl)propanenitrile, 2-(4-Isobutylphenyl)propionitrile, (+-)-2-(4'-isobutylphenyl)propionitrile, 2-(p-isobutylphenyl)propiononitrile, (+/-)-2-(4'-Isobutylphenyl)propionitrile, 2-(4-isobutylphenyl)-propionitrile, 1-cyano-1-(4-isobutylphenyl)ethane, 2-(4'-isobutylphenyl)-propionitrile, 4-Isobutyl-alpha-methylbenzeneacetonitrile, 2-[4-(2-methyl-propyl)-phenyl]-propionitrile, alpha-Methyl-4-(2-methylpropyl)benzeneacetonitrile, Benzeneacetonitrile, alpha-methyl-4-(2-methylpropyl)-

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 2-(4-Isobutylphenyl)propiononitrile?

The CAS Registry Number of 2-(4-Isobutylphenyl)propiononitrile is 58609-73-7. It is also known as 2-(4-isobutylphenyl)propanenitrile, 2-(4-Isobutylphenyl)propionitrile, (+-)-2-(4'-isobutylphenyl)propionitrile.

What is the molecular formula and molecular weight of 2-(4-Isobutylphenyl)propiononitrile?

2-(4-Isobutylphenyl)propiononitrile has the molecular formula C13H17N and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)phenyl]propanenitrile.

What is 2-(4-Isobutylphenyl)propiononitrile used for?

2-(4-Isobutylphenyl)propiononitrile is supplied as a characterised reference material related to Ibuprofen. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of 2-(4-Isobutylphenyl)propiononitrile can I order?

We supply 2-(4-Isobutylphenyl)propiononitrile in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with 2-(4-Isobutylphenyl)propiononitrile?

Yes. Every lot of 2-(4-Isobutylphenyl)propiononitrile 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 2-(4-Isobutylphenyl)propiononitrile be shipped internationally?

Yes. 2-(4-Isobutylphenyl)propiononitrile 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.