2-(2-(Azidomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane - ≥95% , CAS No.1223598-41-1

CAS: 1223598-41-1 Cat. No.: A180424 Molecular Weight: 259.1 EC Number: 806-718-8

GRADE & PURITY ≥95%

Synonyms

A927457 | 2-(2-(azidomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | AS-2549 | 2-(AzidoMethyl)benzeneboronic acid pinacol ester, 95per cent | AKOS025392317 | 2-(Azidomethyl)benzeneboronic acid pinacol ester | MFCD22124732 | DTXSID40726232 | 2-[2-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

A927457 | 2-(2-(azidomethyl)phenyl)-4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolane | AS-2549 | 2-(AzidoMethyl)benzeneboronic acid pinacol ester, 95per cent | AKOS025392317 | 2-(Azidomethyl)benzeneboronic acid pinacol ester | MFCD22124732 | DTXSID40726232 | 2-[2-

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2CN=[N+]=[N-]
• IUPAC Name: 2-[2-(azidomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• InChIKey: DWSJHXRRSHEEOE-UHFFFAOYSA-N
• INCHI: 1S/C13H18BN3O2/c1-12(2)13(3,4)19-14(18-12)11-8-6-5-7-10(11)9-16-17-15/h5-8H,9H2,1-4H3
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2CN=[N+]=[N-]
• Molecular Weight: 259.1
• Reaxy-Rn: 20259376
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20259376&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Dioxaborolanes Boronic acid esters Azo imides Azo compounds Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organometalloid compounds Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Boronic acid ester - 1,3,2-dioxaborolane - Azo compound - Azo imide - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organonitrogen compound - Organic metalloid moeity - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic salt - Organic cation - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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: 259.110 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 259.149 Da
• Monoisotopic Mass: 259.149 Da
• Topological Polar Surface Area: 32.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 364.000
• 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

XLogP3