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4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline - 95%, high purity , CAS No.1152441-29-6

COA

Grade & Purity:

≥95%

Cas Number: 1152441-29-6
Molecular Weight: 237.08
PubChem CID: 72221146
PubChem SID: 504772271

In stock

Item Number

F586447

Grouped product items
SKU	Size	Availability	Price
F586447-100mg	100mg	2	$26.90
F586447-250mg	250mg	1	$39.90
F586447-1g	1g	1	$137.90
F586447-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$599.90

Basic Description

Synonyms	5-Amino-2-fluorobenzeneboronic acid pinacol ester
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Protected from light,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 Aniline and substituted anilines

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Aniline and substituted anilines
Intermediate Tree Nodes	Not available
Direct Parent	Aniline and substituted anilines
Alternative Parents	Fluorobenzenes Aryl fluorides Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Primary amines Organooxygen compounds Organometalloid compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Oxacycle - Organoheterocyclic compound - Organic metalloid salt - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
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	504772271
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504772271
IUPAC Name	4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
INCHI	InChI=1S/C12H17BFNO2/c1-11(2)12(3,4)17-13(16-11)9-7-8(15)5-6-10(9)14/h5-7H,15H2,1-4H3
InChIKey	FBZFLAGIPHQJBF-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)N)F
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)N)F
Molecular Weight	237.08
Reaxy-Rn	27186969
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27186969&ln=

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

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Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
J2331464	Certificate of Analysis	Oct 07, 2023	F586447
J2331463	Certificate of Analysis	Oct 07, 2023	F586447
J2331468	Certificate of Analysis	Oct 07, 2023	F586447
J2331465	Certificate of Analysis	Oct 07, 2023	F586447
J2331466	Certificate of Analysis	Oct 07, 2023	F586447
J2331467	Certificate of Analysis	Oct 07, 2023	F586447
J2331462	Certificate of Analysis	Oct 07, 2023	F586447

Chemical and Physical Properties

Molecular Weight	237.080 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	237.134 Da
Monoisotopic Mass	237.134 Da
Topological Polar Surface Area	44.500 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	282.000
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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