3-Cyano-4-isopropoxybenzoic acid

Name: 3-Cyano-4-isopropoxybenzoic acid
Brand: Vaqora Chemicals
SKU: VQ-050605

About 3-Cyano-4-isopropoxybenzoic acid

3-Cyano-4-isopropoxybenzoic acid (CAS 258273-31-3) is a process intermediate or related compound of Ozanimod offered by Vaqora Chemicals. With the molecular formula C11H11NO3, it has a molar mass of 205.21 g/mol. The IUPAC name is 3-cyano-4-propan-2-yloxybenzoic acid. Alternative names: 3-Cyano-4-(1-methylethoxy)benzoic acid and 3-cyano-4-isopropyloxybenzoic acid.

The product is provided as a solid. Store the standard in its sealed vial, protected from light and moisture, and follow the storage condition printed on the COA. The GHS classification uses the signal word “Danger”, so appropriate gloves, eye protection and ventilation are recommended.

It is a process intermediate or related compound in the synthesis of Ozanimod, useful for route development, impurity fate-and-purge studies and analytical method development. Typical end-use sectors are pharmaceutical manufacturing and academic and industrial research.

We offer 3-Cyano-4-isopropoxybenzoic acid in 10 mg, 25 mg, 50 mg and 100 mg packs with a batch-specific COA, and ship to customers worldwide.

Typical applications

API route development
Impurity fate & purge studies
Analytical method development

Industries

Related to Ozanimod

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

Ozanimod impurities

Specifications & identifiers

Chemical identifiers
Product name	3-Cyano-4-isopropoxybenzoic acid
Catalogue No.	VQ-050605
CAS Number	258273-31-3
IUPAC name	3-cyano-4-propan-2-yloxybenzoic acid
Molecular formula	C₁₁H₁₁NO₃
Molecular weight	205.21 g/mol
Exact mass	205.0739
HSN code	2933
InChIKey	FQGLEMDXDTZJMJ-UHFFFAOYSA-N
SMILES	CC(C)OC1=C(C=C(C=C1)C(=O)O)C#N
PubChem CID	21956832

Physical properties
Physical form	Solid
LogP (XLogP3)	1.9
H-bond donors / acceptors	1 / 4
TPSA	70.3 Å²
Synonyms	3-Cyano-4-(1-methylethoxy)benzoic acid, 3-cyano-4-isopropyloxybenzoic acid, 3-Cyano-4-((1-methylethyl)oxy)benzoic acid, Benzoic acid, 3-cyano-4-(1-methylethoxy)-, 3-cyano-4-[(1-methylethyl)oxy]benzoic acid, 3-cyano-4-(propan-2-yloxy)benzoic acid, 3-Cyano-4-[(propan-2-yl)oxy]benzoic acid

Safety & hazard information (GHS)

Corrosive

Harmful / irritant

Signal word: Danger

Hazard statements

H302Harmful if swallowed
H312Harmful in contact with skin
H315Causes skin irritation
H318Causes serious eye damage
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, P305 + P354 + 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 3-Cyano-4-isopropoxybenzoic acid?

The CAS Registry Number of 3-Cyano-4-isopropoxybenzoic acid is 258273-31-3. It is also known as 3-Cyano-4-(1-methylethoxy)benzoic acid, 3-cyano-4-isopropyloxybenzoic acid, 3-Cyano-4-((1-methylethyl)oxy)benzoic acid.

What is the molecular formula and molecular weight of 3-Cyano-4-isopropoxybenzoic acid?

3-Cyano-4-isopropoxybenzoic acid has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 3-cyano-4-propan-2-yloxybenzoic acid.

What is 3-Cyano-4-isopropoxybenzoic acid used for?

3-Cyano-4-isopropoxybenzoic acid is supplied as a characterised reference material related to Ozanimod. 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 3-Cyano-4-isopropoxybenzoic acid can I order?

We supply 3-Cyano-4-isopropoxybenzoic acid, 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 3-Cyano-4-isopropoxybenzoic acid?

Yes. Every lot of 3-Cyano-4-isopropoxybenzoic acid 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 3-Cyano-4-isopropoxybenzoic acid be shipped internationally?

Yes. 3-Cyano-4-isopropoxybenzoic acid 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.