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API Process Intermediates & Related Compounds

3-Cyano-4-isopropoxybenzoic acid

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Buy 3-Cyano-4-isopropoxybenzoic acid (CAS 258273-31-3) from Zemixal. Lab and bulk packs, batch COA, fast global delivery.

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3-Cyano-4-isopropoxybenzoic acid chemical structure
CAS number258273-31-3
FormulaC11H11NO3
Molar mass205.21 g/mol
Physical formSolid
HS code2933
InChIKeyFQGLEMDXDTZJMJ-UHFFFAOYSA-N
IUPAC name3-cyano-4-propan-2-yloxybenzoic acid

About 3-Cyano-4-isopropoxybenzoic acid

3-Cyano-4-isopropoxybenzoic acid is part of the Zemixal API Process Intermediates & Related Compounds range. Identity at a glance: CAS 258273-31-3, formula C11H11NO3 and molar mass 205.21 g/mol. It is handled as a solid.

Where it is used

  • API route development
  • Impurity fate & purge studies
  • Analytical method development

Storage and safety notes

It carries the GHS signal word Danger (H302, H312, H315 and H318), so wear gloves and eye protection and work with good ventilation.

Standard pack sizes are 10 mg, 25 mg, 50 mg and 100 mg, and custom quantities are quoted on request. Every shipment includes a batch certificate of analysis and a 16-section SDS. Send an enquiry through the quote panel and you get a formal offer with Incoterms and delivery time.

Reference standards for Ozanimod

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

Ozanimod standards

Typical uses

  • API route development
  • Impurity fate & purge studies
  • Analytical method development

Applications

Specifications and identifiers

Specifications of 3-Cyano-4-isopropoxybenzoic acid
Product name3-Cyano-4-isopropoxybenzoic acid
Catalogue numberZX-040642
CAS number258273-31-3
IUPAC name3-cyano-4-propan-2-yloxybenzoic acid
Molecular formulaC11H11NO3
Molar mass205.21 g/mol
Exact mass205.0739
Physical formSolid
XLogP31.9
H-bond donors / acceptors1 / 4
Topological polar surface area70.3 Ų
HS code2933
InChIKeyFQGLEMDXDTZJMJ-UHFFFAOYSA-N
SMILESCC(C)OC1=C(C=C(C=C1)C(=O)O)C#N
PubChem CID21956832
Synonyms3-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

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

Safety and GHS hazards

GHS05 Corrosive
Corrosive
GHS07 Irritant or harmful
Irritant or harmful

Signal word Danger

  • 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 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 3-Cyano-4-isopropoxybenzoic acid
10 mgQuoted on request
25 mgQuoted on request
50 mgQuoted on request
100 mgQuoted on request

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

Questions about 3-Cyano-4-isopropoxybenzoic acid

Which CAS number identifies 3-Cyano-4-isopropoxybenzoic acid?
3-Cyano-4-isopropoxybenzoic acid is registered under CAS 258273-31-3. You may also see it listed as 3-Cyano-4-(1-methylethoxy)benzoic acid, 3-cyano-4-isopropyloxybenzoic acid, 3-Cyano-4-((1-methylethyl)oxy)benzoic acid. Our catalogue number for this item is ZX-040642.
What are the formula and molar mass of 3-Cyano-4-isopropoxybenzoic acid?
For 3-Cyano-4-isopropoxybenzoic acid, its formula is C11H11NO3 and its molar mass is 205.21 g/mol. The systematic (IUPAC) name is 3-cyano-4-propan-2-yloxybenzoic acid. InChIKey FQGLEMDXDTZJMJ-UHFFFAOYSA-N lets you match it in any structure database.
How is 3-Cyano-4-isopropoxybenzoic acid used in pharmaceutical QC?
3-Cyano-4-isopropoxybenzoic acid is a characterised reference material linked to Ozanimod. 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 3-Cyano-4-isopropoxybenzoic acid?
The grade and assay are confirmed on the quotation and the batch COA. 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 3-Cyano-4-isopropoxybenzoic acid?
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 3-Cyano-4-isopropoxybenzoic acid to my country?
Yes. Because 3-Cyano-4-isopropoxybenzoic acid 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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