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5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine-2-carbonitrile - >98%, high purity , CAS No.1025708-31-9

COA

Grade & Purity:

≥98%

Cas Number: 1025708-31-9
Molecular Weight: 231.06
PubChem CID: 16414276

In stock

Item Number

T290811

Grouped product items
SKU	Size	Availability	Price
T290811-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$18.90
T290811-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$59.90
T290811-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$239.90

View related series

Boric acid and its derivatives (72) Pyrimidine compounds (125)

Basic Description

Synonyms	2-CYANOPYRIMIDINE-5-BORONIC ACID PINACOL ESTER \| FT-0660786 \| A896765 \| J-000732 \| AKOS022172765 \| SY008202 \| 1025708-31-9 \| MFCD08669562 \| 2-Cyanopyrimidine-5-boronic acid pinacol ester, AldrichCPR \| DTXSID90586000 \| 2-Pyrimidinecarbonitrile, 5-(4,4,5,5-
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
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 Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyrimidines and pyrimidine derivatives
Alternative Parents	Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Nitriles Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organoboron compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrimidine - Boronic acid ester - 1,3,2-dioxaborolane - Heteroaromatic compound - Boronic acid derivative - Carbonitrile - Nitrile - Organic metalloid salt - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Organoboron compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organic oxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrimidines and pyrimidine derivatives. These are compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms.
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

IUPAC Name	5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine-2-carbonitrile
INCHI	InChI=1S/C11H14BN3O2/c1-10(2)11(3,4)17-12(16-10)8-6-14-9(5-13)15-7-8/h6-7H,1-4H3
InChIKey	KJQVHJSIJTVCMN-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)C#N
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)C#N
PubChem CID	16414276
Molecular Weight	231.06

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
E2523452	Certificate of Analysis	Nov 13, 2024	T290811
E2523453	Certificate of Analysis	Nov 13, 2024	T290811
E2523454	Certificate of Analysis	Nov 13, 2024	T290811
E2523455	Certificate of Analysis	Nov 13, 2024	T290811
E2523456	Certificate of Analysis	Nov 13, 2024	T290811
E2523457	Certificate of Analysis	Nov 13, 2024	T290811

Chemical and Physical Properties

Molecular Weight	231.060 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	231.118 Da
Monoisotopic Mass	231.118 Da
Topological Polar Surface Area	68.000 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	326.000
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

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