3-(naphthalen-1-yl)phenylboronic acid (contains varying amounts of Anhydride) - ≥97% , CAS No.881913-20-8

CAS: 881913-20-8 Cat. No.: N290888 Molecular Weight: 248.09 EC Number: 835-804-8

GRADE & PURITY ≥97%

Synonyms

DTXSID10730482 | SCHEMBL622947 | A851680 | DS-15396 | [3-(Naphthalen-1-yl)phenyl]boronic acid | PB22452 | boronic acid,(3-(1-naphthalenyl)phenyl)- | BORONIC ACID,[3-(1-NAPHTHALENYL)PHENYL]- | BORONIC ACID, [3-(1-NAPHTHALENYL)PHENYL]- | 3-(1-Naphthyl)benze

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

DTXSID10730482 | SCHEMBL622947 | A851680 | DS-15396 | [3-(Naphthalen-1-yl)phenyl]boronic acid | PB22452 | boronic acid, (3-(1-naphthalenyl)phenyl)- | BORONIC ACID, [3-(1-NAPHTHALENYL)PHENYL]- | BORONIC ACID, [3-(1-NAPHTHALENYL)PHENYL]- | 3-(1-Naphthyl)benze

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504771710
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771710
• Canonical Smiles: B(C1=CC(=CC=C1)C2=CC=CC3=CC=CC=C32)(O)O
• IUPAC Name: (3-naphthalen-1-ylphenyl)boronic acid
• InChIKey: HFXYUCJLQZCNPD-UHFFFAOYSA-N
• INCHI: 1S/C16H13BO2/c18-17(19)14-8-3-7-13(11-14)16-10-4-6-12-5-1-2-9-15(12)16/h1-11,18-19H
• Isomeric SMILES: B(C1=CC(=CC=C1)C2=CC=CC3=CC=CC=C32)(O)O
• Molecular Weight: 248.09
• Reaxy-Rn: 18694809
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18694809&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Benzene and substituted derivatives Boronic acids Organic metalloid salts Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic metalloid moeity - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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: 248.100 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 248.101 Da
• Monoisotopic Mass: 248.101 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 294.000
• 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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