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3-(Aminomethyl)-2-fluorophenylboronic acid, HCl - 97%, high purity , CAS No.1072946-44-1

COA

Grade & Purity:

≥97%

Cas Number: 1072946-44-1
Molecular Weight: 205.4
PubChem CID: 46738902

In stock

Item Number

A179214

Grouped product items
SKU	Size	Availability	Price
A179214-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$42.90
A179214-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$141.90
A179214-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$637.90

Basic Description

Synonyms	1072946-44-1 \| (3-(Aminomethyl)-2-fluorophenyl)boronic acid hydrochloride \| 3-(Aminomethyl)-2-fluorophenylboronic acid, HCl \| 3-(Aminomethyl)-2-fluorophenylboronic acid hydrochloride \| (3-(Aminomethyl)-2-fluorophenyl)-boronic acid hydrochloride \| [3-(aminomethyl)-2
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylmethylamines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylmethylamines
Alternative Parents	Benzylamines Fluorobenzenes Aralkylamines Aryl fluorides Boronic acids Organic metalloid salts Organometalloid compounds Organofluorides Organic oxygen compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzylamine - Phenylmethylamine - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Boronic acid derivative - Boronic acid - Organic metalloid salt - Organofluoride - Organic metalloid moeity - Organohalogen compound - Primary aliphatic amine - Hydrochloride - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Primary amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
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	[3-(aminomethyl)-2-fluorophenyl]boronic acid;hydrochloride
INCHI	InChI=1S/C7H9BFNO2.ClH/c9-7-5(4-10)2-1-3-6(7)8(11)12;/h1-3,11-12H,4,10H2;1H
InChIKey	PMVMFPKOYFRXRJ-UHFFFAOYSA-N
Smiles	B(C1=C(C(=CC=C1)CN)F)(O)O.Cl
Isomeric SMILES	B(C1=C(C(=CC=C1)CN)F)(O)O.Cl
Molecular Weight	205.4
Reaxy-Rn	26792260
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26792260&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	205.420 g/mol
XLogP3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	205.048 Da
Monoisotopic Mass	205.048 Da
Topological Polar Surface Area	66.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	147.000
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	2

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