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4-(5,5-Dimethyl-1,3,2-Dioxaborinan-2-Yl)Benzonitrile - 98%, high purity , CAS No.214360-44-8

COA

Grade & Purity:

≥98%

Cas Number: 214360-44-8
Molecular Weight: 215.1
PubChem CID: 22648815
PubChem SID: 488200203

In stock

Item Number

C182779

Grouped product items
SKU	Size	Availability	Price	Qty
C182779-1g	1g	5	$54.90
C182779-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$191.90

Discover 4-(5,5-Dimethyl-1,3,2-Dioxaborinan-2-Yl)Benzonitrile by Aladdin Scientific in 98% for only $54.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	214360-44-8 \| 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile \| 4-Cyanophenylboronic acid, neopentyl glycol ester \| Benzonitrile, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)- \| SCHEMBL5891951 \| DTXSID40627336 \| MFCD10699688 \| AKOS016001668 \| BS-27811 \| CS-0174781 \| F71814 \|
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

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	Boronic acid esters Oxacyclic compounds Organic metalloid salts Nitriles Organooxygen compounds Organometalloid compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzonitrile - Boronic acid ester - Boronic acid derivative - Carbonitrile - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organic metalloid moeity - Organooxygen compound - Hydrocarbon derivative - Cyanide - Organic oxygen compound - 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	488200203
IUPAC Name	4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
INCHI	InChI=1S/C12H14BNO2/c1-12(2)8-15-13(16-9-12)11-5-3-10(7-14)4-6-11/h3-6H,8-9H2,1-2H3
InChIKey	BAIHMVOJDPTWSS-UHFFFAOYSA-N
Smiles	B1(OCC(CO1)(C)C)C2=CC=C(C=C2)C#N
Isomeric SMILES	B1(OCC(CO1)(C)C)C2=CC=C(C=C2)C#N
Molecular Weight	215.1
Reaxy-Rn	10433861
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10433861&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
H2130123	Certificate of Analysis	Jun 13, 2024	C182779
H2130124	Certificate of Analysis	Jun 13, 2024	C182779
C23301049	Certificate of Analysis	May 31, 2021	C182779

Chemical and Physical Properties

Molecular Weight	215.060 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	215.112 Da
Monoisotopic Mass	215.112 Da
Topological Polar Surface Area	42.300 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	279.000
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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