3-Amino-4-fluorophenylboronic acid(contains varying amounts of Anhydride) - ≥97% , CAS No.873566-75-7

CAS: 873566-75-7 Cat. No.: A187419 Molecular Weight: 154.93 EC Number: 689-890-5

GRADE & PURITY ≥97%

Synonyms

3-Amino-4-fluorophenylboronic acid, AldrichCPR | SCHEMBL391536 | Magnesium4-nitrobenzylmalonate | 3-AMINO-4-FLUOROPHENYLBORONICACID | DTXSID00620707 | A842107 | FT-0657529 | MFCD03092925 | BBL100670 | PS-9554 | AKOS005145886 | SYBMNJPUZMUPGQ-UHFFFAOYSA-N

Storage

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Shipped In

Wet ice

Overview

application：

3-Amino-4-fluorophenylboronic acid is a useful research chemical for organic synthesis and other chemical processes.

Specifications

Synonyms

3-Amino-4-fluorophenylboronic acid, AldrichCPR | SCHEMBL391536 | Magnesium4-nitrobenzylmalonate | 3-AMINO-4-FLUOROPHENYLBORONICACID | DTXSID00620707 | A842107 | FT-0657529 | MFCD03092925 | BBL100670 | PS-9554 | AKOS005145886 | SYBMNJPUZMUPGQ-UHFFFAOYSA-N

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: B(C1=CC(=C(C=C1)F)N)(O)O
• IUPAC Name: (3-amino-4-fluorophenyl)boronic acid
• InChIKey: SYBMNJPUZMUPGQ-UHFFFAOYSA-N
• INCHI: 1S/C6H7BFNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H,9H2
• Isomeric SMILES: B(C1=CC(=C(C=C1)F)N)(O)O
• Molecular Weight: 154.93
• Reaxy-Rn: 15523113
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15523113&ln=

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 Boronic acids Organic metalloid salts Primary amines Organometalloid compounds Organofluorides Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Boronic acid derivative - Boronic acid - Organic metalloid salt - Organofluoride - Organic metalloid moeity - Organohalogen compound - Hydrocarbon derivative - Amine - 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 aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• External Descriptors: Not available

Data sources

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

Chemical and Physical Properties

• Molecular Weight: 154.940 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 155.055 Da
• Monoisotopic Mass: 155.055 Da
• Topological Polar Surface Area: 66.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 136.000
• 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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