Skip to the beginning of the images gallery

3-Methyl-5-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)benzonitrile (contains varying amounts of Anhydride) - 95%, high purity , CAS No.1220219-59-9

COA

Grade & Purity:

≥95%

Cas Number: 1220219-59-9
Molecular Weight: 243.11
PubChem CID: 59535126
PubChem SID: 504771750

In stock

Item Number

M190174

Grouped product items
SKU	Size	Availability	Price
M190174-50mg	50mg	3	$32.90
M190174-100mg	100mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$54.90
M190174-250mg	250mg	2	$87.90
M190174-1g	1g	2	$221.90
M190174-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$778.90
M190174-10g	10g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,401.90

Basic Description

Synonyms	1220219-59-9 \| 3-Methyl-5-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)benzonitrile \| 3-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile \| 3-Cyano-5-methylphenylboronic acid pinacol ester \| MFCD18383798 \| Benzonitrile, 3-methyl-5-(4,4,5,5-tetramet
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzonitriles

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzonitriles
Intermediate Tree Nodes	Not available
Direct Parent	Benzonitriles
Alternative Parents	Toluenes Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Nitriles Organooxygen compounds Organometalloid compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzonitrile - Toluene - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Carbonitrile - Nitrile - Oxacycle - Organoheterocyclic compound - Organic metalloid salt - Organic metalloid moeity - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504771750
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771750
IUPAC Name	3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
INCHI	InChI=1S/C14H18BNO2/c1-10-6-11(9-16)8-12(7-10)15-17-13(2,3)14(4,5)18-15/h6-8H,1-5H3
InChIKey	ICOWRQHPEDTPCR-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)C#N)C
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)C#N)C
Molecular Weight	243.11
Reaxy-Rn	15830123
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15830123&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
B2217036	Certificate of Analysis	Dec 10, 2024	M190174
B2217038	Certificate of Analysis	Dec 10, 2024	M190174
B2217025	Certificate of Analysis	Dec 10, 2024	M190174
B2217037	Certificate of Analysis	Dec 10, 2024	M190174
B2217046	Certificate of Analysis	Dec 10, 2024	M190174
B2217039	Certificate of Analysis	Dec 10, 2024	M190174

Chemical and Physical Properties

Molecular Weight	243.110 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	243.143 Da
Monoisotopic Mass	243.143 Da
Topological Polar Surface Area	42.300 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	355.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration