4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

Name: 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
Brand: Zemixal
SKU: ZX-046078

Reference StandardAvailable on request

Order 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid (CAS 180516-87-4) online at Zemixal. Lab and bulk packs, batch COA, fast global delivery.

Pack sizes

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid chemical structure

CAS number180516-87-4

FormulaC₁₃H₁₇BO₄

Molar mass248.08 g/mol

Physical formSolid

HS code38229090

InChIKeyIYDKBQIEOBXLTP-UHFFFAOYSA-N

IUPAC name4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

About 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid belongs to the Acalabrutinib reference-standard family in the Zemixal catalogue. For your records (Reference Standard), the material is defined by CAS 180516-87-4, formula C13H17BO4 and molar mass 248.08 g/mol. It is handled as a solid.

Use cases we see most often

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

Safe handling

It carries the GHS signal word Warning (H302, H312, H315 and H319), so wear gloves and eye protection and work with good ventilation.

Available as 10 mg, 25 mg, 50 mg and 100 mg. Larger or split packs can be arranged. Every shipment includes a certificate of analysis with characterisation data. Request pricing online and we confirm availability, documentation and freight to your country.

Reference standards for Acalabrutinib

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

Acalabrutinib 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 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
Product name	4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
Catalogue number	ZX-046078
CAS number	180516-87-4
IUPAC name	4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
Molecular formula	C₁₃H₁₇BO₄
Molar mass	248.08 g/mol
Exact mass	248.122
Grade	Reference Standard
Physical form	Solid
H-bond donors / acceptors	1 / 4
Topological polar surface area	55.8 Å²
HS code	38229090
InChIKey	IYDKBQIEOBXLTP-UHFFFAOYSA-N
SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)O
PubChem CID	2734621
Synonyms	4-Carboxyphenylboronic acid pinacol ester, 4-Carboxylphenylboronic acid pinacol ester, 4-carboxyphenylboronic acid, pinacol ester, 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid, 4-carboxybenzeneboronic acid pinacol ester, 2-(4-Carboxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 4-carboxybenzeneboronic acid, pinacol ester

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

Safety and GHS hazards

Irritant or harmful

Signal word Warning

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 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 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
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 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

Which CAS number identifies 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid?

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid is registered under CAS 180516-87-4. You may also see it listed as 4-Carboxyphenylboronic acid pinacol ester, 4-Carboxylphenylboronic acid pinacol ester, 4-carboxyphenylboronic acid, pinacol ester. Our catalogue number for this item is ZX-046078.

What are the formula and molar mass of 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid?

For 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid, its formula is C13H17BO4 and its molar mass is 248.08 g/mol. The systematic (IUPAC) name is 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid. InChIKey IYDKBQIEOBXLTP-UHFFFAOYSA-N lets you match it in any structure database.

How is 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid used in pharmaceutical QC?

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid is a characterised reference material linked to Acalabrutinib. 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 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid?

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 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic 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 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid to my country?

Yes. Because 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic 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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