5-Methyl-1,3-benzenediacetonitrile

Name: 5-Methyl-1,3-benzenediacetonitrile
Brand: Vaqora Chemicals
SKU: VQ-021594

About 5-Methyl-1,3-benzenediacetonitrile

5-Methyl-1,3-benzenediacetonitrile is an impurity of Anastrozole carrying the CAS registry number 120511-74-2. With the molecular formula C11H10N2, it has a molar mass of 170.21 g/mol. The IUPAC name is 2-[3-(cyanomethyl)-5-methylphenyl]acetonitrile. Alternative names: 3,5-Bis(cyanomethyl)toluene and (3-Cyanomethyl-5-methylphenyl)acetonitrile.

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. Under GHS it is labelled “Danger”, so handle it with suitable PPE and consult the SDS.

As a characterised impurity of Anastrozole, it is used for analytical method development, method validation (AMV) and routine quality-control testing, and it supports ANDA and DMF regulatory filings. Buyers come mainly from pharmaceutical manufacturing and academic and industrial research.

Available in 10 mg, 25 mg, 50 mg and 100 mg packs, 5-Methyl-1,3-benzenediacetonitrile is dispatched with a Certificate of Analysis (COA) to destinations worldwide.

Typical applications

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

Industries

Related to Anastrozole

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

Anastrozole impurities

Specifications & identifiers

Chemical identifiers
Product name	5-Methyl-1,3-benzenediacetonitrile
Catalogue No.	VQ-021594
CAS Number	120511-74-2
IUPAC name	2-[3-(cyanomethyl)-5-methylphenyl]acetonitrile
Molecular formula	C₁₁H₁₀N₂
Molecular weight	170.21 g/mol
Exact mass	170.0844
Grade	Reference Standard
HSN code	38229090
InChIKey	XJCXEUYJQHPEAE-UHFFFAOYSA-N
SMILES	CC1=CC(=CC(=C1)CC#N)CC#N
PubChem CID	19349396

Physical properties
Physical form	Solid
LogP (XLogP3)	1.6
H-bond donors / acceptors	0 / 2
TPSA	47.6 Å²
Synonyms	3,5-Bis(cyanomethyl)toluene, (3-Cyanomethyl-5-methylphenyl)acetonitrile, 2,2'-(5-Methyl-1,3-phenylene)diacetonitrile, 5-Methylbenzene-1,3-diacetonitrile, 1,3-Benzenedicarbonitrile,2,5-dimethyl-, 3-Cyanomethyl-5-methyl-phenylacetonitrile, [3-(cyanomethyl)-5-methylphenyl]acetonitrile, 2-[3-(cyanomethyl)-5-methyl-phenyl]acetonitrile, 1,3-biscyanomethyl-5-methylbenzene

Safety & hazard information (GHS)

Toxic

Harmful / irritant

Signal word: Danger

Hazard statements

H301+H311+H331Toxic if swallowed, in contact with skin or if inhaled
H301Toxic if swallowed
H311Toxic in contact with skin
H315Causes skin irritation
H317May cause an allergic skin reaction
H319Causes serious eye irritation
H331Toxic if inhaled

Precautionary statements: P261, P262, P264, P264 + P265, P270, P271, P272, P280, P301 + P316, P302 + P352, P304 + P340, P305 + P351 + P338, P316, P321, P330, P332 + P317, P333 + P317, P337 + P317, P361 + P364, 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 5-Methyl-1,3-benzenediacetonitrile?

The CAS Registry Number of 5-Methyl-1,3-benzenediacetonitrile is 120511-74-2. It is also known as 3,5-Bis(cyanomethyl)toluene, (3-Cyanomethyl-5-methylphenyl)acetonitrile, 2,2'-(5-Methyl-1,3-phenylene)diacetonitrile.

What is the molecular formula and molecular weight of 5-Methyl-1,3-benzenediacetonitrile?

5-Methyl-1,3-benzenediacetonitrile has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-[3-(cyanomethyl)-5-methylphenyl]acetonitrile.

What is 5-Methyl-1,3-benzenediacetonitrile used for?

5-Methyl-1,3-benzenediacetonitrile is supplied as a characterised reference material related to Anastrozole. 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 5-Methyl-1,3-benzenediacetonitrile can I order?

We supply 5-Methyl-1,3-benzenediacetonitrile 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 5-Methyl-1,3-benzenediacetonitrile?

Yes. Every lot of 5-Methyl-1,3-benzenediacetonitrile 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 5-Methyl-1,3-benzenediacetonitrile be shipped internationally?

Yes. 5-Methyl-1,3-benzenediacetonitrile 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.