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4-Cyano-2-fluoro-5-methylphenylboronic acid, pinacol ester - 98%, high purity , CAS No.1192023-08-7

COA

Grade & Purity:

≥98%

Cas Number: 1192023-08-7
Molecular Weight: 261.1
PubChem CID: 53217167

In stock

Item Number

C180009

Grouped product items
SKU	Size	Availability	Price	Qty
C180009-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$172.90
C180009-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$622.90

Discover 4-Cyano-2-fluoro-5-methylphenylboronic acid, pinacol ester by Aladdin Scientific in 98% for only $172.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1192023-08-7 \| 5-FLUORO-2-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE \| 4-cyano-2-fluoro-5-methylphenylboronic acid, pinacol ester \| 4-Cyano-2-fluoro-5-methylphenylboronic acid,pinacol ester \| DTXSID40682268 \| MFCD12405378 \| AKOS015999641 \| AT171
Specifications & Purity	≥98%
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	Toluenes Fluorobenzenes Aryl fluorides Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Nitriles Organopnictogen compounds Organooxygen compounds Organometalloid compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzonitrile - Fluorobenzene - Halobenzene - Toluene - Aryl fluoride - Aryl halide - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Carbonitrile - Nitrile - Cyanide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organic metalloid moeity - Organofluoride - Organonitrogen compound - Organooxygen 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

IUPAC Name	5-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
INCHI	InChI=1S/C14H17BFNO2/c1-9-6-11(12(16)7-10(9)8-17)15-18-13(2,3)14(4,5)19-15/h6-7H,1-5H3
InChIKey	HTUJWJWTEQBFEF-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2F)C#N)C
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2F)C#N)C
Molecular Weight	261.1
Reaxy-Rn	47208644
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=47208644&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	261.100 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	261.134 Da
Monoisotopic Mass	261.134 Da
Topological Polar Surface Area	42.300 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	387.000
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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