5-Methyl-1,3-benzenediacetonitrile

Name: 5-Methyl-1,3-benzenediacetonitrile
Brand: Zemixal
SKU: ZX-020644

Reference StandardAvailable on request

Order 5-Methyl-1,3-benzenediacetonitrile (CAS 120511-74-2) online at Zemixal. Request a quote with price, lead time and documents.

Pack sizes

5-Methyl-1,3-benzenediacetonitrile chemical structure

CAS number120511-74-2

FormulaC₁₁H₁₀N₂

Molar mass170.21 g/mol

Physical formSolid

HS code38229090

InChIKeyXJCXEUYJQHPEAE-UHFFFAOYSA-N

IUPAC name2-[3-(cyanomethyl)-5-methylphenyl]acetonitrile

About 5-Methyl-1,3-benzenediacetonitrile

5-Methyl-1,3-benzenediacetonitrile is supplied by Zemixal as a characterised reference material for Anastrozole analysis. Identity at a glance (Reference Standard): CAS 120511-74-2, formula C11H10N2 and molar mass 170.21 g/mol. It is handled as a solid.

Typical applications

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

Safe handling

Hazard communication follows GHS (Danger: H301+H311+H331, H301, H311 and H315). Our SDS lists exposure controls and first-aid measures.

Order it in 10 mg, 25 mg, 50 mg and 100 mg packs or ask for a bulk quotation. Each lot travels with a certificate of analysis with characterisation data. Request pricing online and we confirm availability, documentation and freight to your country.

Reference standards for Anastrozole

See every impurity, metabolite and related compound we list for this API.

Anastrozole standards

Typical uses

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

Applications

Pharmaceutical Manufacturing and QC Research Labs and Universities

Specifications and identifiers

Specifications of 5-Methyl-1,3-benzenediacetonitrile
Product name	5-Methyl-1,3-benzenediacetonitrile
Catalogue number	ZX-020644
CAS number	120511-74-2
IUPAC name	2-[3-(cyanomethyl)-5-methylphenyl]acetonitrile
Molecular formula	C₁₁H₁₀N₂
Molar mass	170.21 g/mol
Exact mass	170.0844
Grade	Reference Standard
Physical form	Solid
XLogP3	1.6
H-bond donors / acceptors	0 / 2
Topological polar surface area	47.6 Å²
HS code	38229090
InChIKey	XJCXEUYJQHPEAE-UHFFFAOYSA-N
SMILES	CC1=CC(=CC(=C1)CC#N)CC#N
PubChem CID	19349396
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

Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.

Safety and GHS hazards

Acute toxicity

Irritant or harmful

Signal word Danger

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 summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.

Pack sizes

Pack sizes of 5-Methyl-1,3-benzenediacetonitrile
10 mg	Quoted on request
25 mg	Quoted on request
50 mg	Quoted on request
100 mg	Quoted on request

Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.

Questions about 5-Methyl-1,3-benzenediacetonitrile

Which CAS number identifies 5-Methyl-1,3-benzenediacetonitrile?

5-Methyl-1,3-benzenediacetonitrile is registered under CAS 120511-74-2. You may also see it listed as 3,5-Bis(cyanomethyl)toluene, (3-Cyanomethyl-5-methylphenyl)acetonitrile, 2,2'-(5-Methyl-1,3-phenylene)diacetonitrile. Our catalogue number for this item is ZX-020644.

What are the formula and molar mass of 5-Methyl-1,3-benzenediacetonitrile?

For 5-Methyl-1,3-benzenediacetonitrile, its formula is C11H10N2 and its molar mass is 170.21 g/mol. The systematic (IUPAC) name is 2-[3-(cyanomethyl)-5-methylphenyl]acetonitrile. InChIKey XJCXEUYJQHPEAE-UHFFFAOYSA-N lets you match it in any structure database.

How is 5-Methyl-1,3-benzenediacetonitrile used in pharmaceutical QC?

5-Methyl-1,3-benzenediacetonitrile is a characterised reference material linked to Anastrozole. Laboratories use it to identify and quantify this impurity during method development and validation, stability work, batch release testing and regulatory submissions.

What grade and pack sizes are available for 5-Methyl-1,3-benzenediacetonitrile?

This listing is Reference Standard grade. Standard packs are 10 mg, 25 mg, 50 mg, 100 mg. Larger quantities and custom packing can be quoted on request.

Which documents come with 5-Methyl-1,3-benzenediacetonitrile?

Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.

Can Zemixal ship 5-Methyl-1,3-benzenediacetonitrile to my country?

Yes. Because 5-Methyl-1,3-benzenediacetonitrile is classed as hazardous, it travels in UN-approved packaging as dangerous goods under IATA or IMDG rules, with the export paperwork your broker needs.

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