2-Methyl-3-nitrophenyl cyanide

Name: 2-Methyl-3-nitrophenyl cyanide
Brand: Vaqora Chemicals
SKU: VQ-049869

About 2-Methyl-3-nitrophenyl cyanide

Listed under CAS 23876-14-4, 2-Methyl-3-nitrophenyl cyanide is a process intermediate or related compound of Roflumilast available from Vaqora Chemicals. Formula C9H8N2O2, molecular weight 176.17 g/mol. Its systematic (IUPAC) name is 2-(2-methyl-3-nitrophenyl)acetonitrile. Common synonyms include (2-methyl-3-nitrophenyl)acetonitrile and 2-methyl-3-nitrobenzyl cyanide.

The product is provided as a solid. Reference materials should be stored sealed and away from light and moisture, as specified on the accompanying COA. The GHS classification uses the signal word “Warning”, so appropriate gloves, eye protection and ventilation are recommended.

Process chemists and analysts use it when developing synthetic routes to Roflumilast, tracking process-related impurities and validating analytical methods. Typical end-use sectors are pharmaceutical manufacturing and academic and industrial research.

Available in 10 mg, 25 mg, 50 mg and 100 mg packs, 2-Methyl-3-nitrophenyl cyanide is dispatched with a Certificate of Analysis (COA) to destinations worldwide.

Typical applications

API route development
Impurity fate & purge studies
Analytical method development

Industries

Related to Roflumilast

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

Roflumilast impurities

Specifications & identifiers

Chemical identifiers
Product name	2-Methyl-3-nitrophenyl cyanide
Catalogue No.	VQ-049869
CAS Number	23876-14-4
IUPAC name	2-(2-methyl-3-nitrophenyl)acetonitrile
Molecular formula	C₉H₈N₂O₂
Molecular weight	176.17 g/mol
Exact mass	176.0586
HSN code	2933
InChIKey	CFNZYZHZLNOYFQ-UHFFFAOYSA-N
SMILES	CC1=C(C=CC=C1[N+](=O)[O-])CC#N
PubChem CID	13530896

Physical properties
Physical form	Solid
LogP (XLogP3)	2.1
H-bond donors / acceptors	0 / 3
TPSA	69.6 Å²
Synonyms	(2-methyl-3-nitrophenyl)acetonitrile, 2-methyl-3-nitrobenzyl cyanide, 2-Methyl-3-nitrobenzylcyanide, (2-Methyl-3-nitro-phenyl)-acetonitrile, 2-Methyl-3-nitro phenylacetonitrile, 2-Methyl-3-nitro-phenylacetonitrile, 2-(2-methyl-3-nitrophenyl)ethanenitrile, 2-(2-methyl-3-nitro-phenyl)acetonitrile

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H302Harmful if swallowed
H312Harmful in contact with skin
H315Causes skin irritation
H319Causes serious eye irritation
H332Harmful if inhaled
H335May cause respiratory irritation

Precautionary statements: P261, P264, P264 + P265, P270, P271, P280, P301 + P317, P302 + P352, P304 + P340, P305 + P351 + P338, P317, P319, P321, P330, P332 + P317, P337 + P317, P362 + P364, P403 + P233, 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 2-Methyl-3-nitrophenyl cyanide?

The CAS Registry Number of 2-Methyl-3-nitrophenyl cyanide is 23876-14-4. It is also known as (2-methyl-3-nitrophenyl)acetonitrile, 2-methyl-3-nitrobenzyl cyanide, 2-Methyl-3-nitrobenzylcyanide.

What is the molecular formula and molecular weight of 2-Methyl-3-nitrophenyl cyanide?

2-Methyl-3-nitrophenyl cyanide has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-(2-methyl-3-nitrophenyl)acetonitrile.

What is 2-Methyl-3-nitrophenyl cyanide used for?

2-Methyl-3-nitrophenyl cyanide is supplied as a characterised reference material related to Roflumilast. 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-Methyl-3-nitrophenyl cyanide can I order?

We supply 2-Methyl-3-nitrophenyl cyanide, 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-Methyl-3-nitrophenyl cyanide?

Yes. Every lot of 2-Methyl-3-nitrophenyl cyanide 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-Methyl-3-nitrophenyl cyanide be shipped internationally?

Yes. 2-Methyl-3-nitrophenyl cyanide 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.