Benzyl azide solution - ≥95%(HPLC), ~0.5M in dichloromethane , CAS No.622-79-7

CAS: 622-79-7 Cat. No.: B462940 Molecular Weight: 133.15 EC Number: 680-691-9

GRADE & PURITY ≥95%(HPLC), ~0.5M in dichloromethane

Synonyms

Bn-N3 | NSC26304 | NSC-26304 | TOLUENE, alpha-AZIDO- | UNII-HFD57Z7J9J | HFD57Z7J9J | (azidomethyl) benzene | CCRIS 8029 | doi:10.14272/UDLLFLQFQMACJB-UHFFFAOYSA-N.1 | EN300-82312 | (Azidomethyl)benzene, Pract. | Benzyl azide | F1905-6985 | AMY19781 | 10.

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Benzyl azide is an aromatic azide generally used in copper(I)-catalyzed azide-alkyne cycloaddition reactions.}

Specifications

Synonyms

Bn-N3 | NSC26304 | NSC-26304 | TOLUENE, alpha-AZIDO- | UNII-HFD57Z7J9J | HFD57Z7J9J | (azidomethyl) benzene | CCRIS 8029 | doi:10.14272/UDLLFLQFQMACJB-UHFFFAOYSA-N.1 | EN300-82312 | (Azidomethyl)benzene, Pract. | Benzyl azide | F1905-6985 | AMY19781 | 10.

Specifications & Purity

≥95%(HPLC), ~0.5M in dichloromethane

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%(HPLC)

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)CN=[N+]=[N-]
• IUPAC Name: azidomethylbenzene
• InChIKey: UDLLFLQFQMACJB-UHFFFAOYSA-N
• INCHI: 1S/C7H7N3/c8-10-9-6-7-4-2-1-3-5-7/h1-5H,6H2
• Isomeric SMILES: C1=CC=C(C=C1)CN=[N+]=[N-]
• Molecular Weight: 133.15
• Reaxy-Rn: 636825
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636825&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: Azo imides Azo compounds Organic salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Azo imide - Azo compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organic cation - Aromatic homomonocyclic 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

Associated Targets(Human)

SIRT2 Tchem NAD-dependent deacetylase sirtuin 2 (3979 Activities)

Discover Target: SIRT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.5341
• Flash Point(°F): 110°F
• Flash Point(°C): 43°C
• Boil Point(°C): 82-85°/16mm
• Molecular Weight: 133.150 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 133.064 Da
• Monoisotopic Mass: 133.064 Da
• Topological Polar Surface Area: 14.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 132.000
• 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

References

1. Xiao-Man Fan, Jia-Jia Shen, Yuan-Yuan Xu, Jian Gao, Ye-Wang Zhang.  (2021)  Metabolic integration of azide functionalized glycan on Escherichia coli cell surface for specific covalent immobilization onto magnetic nanoparticles with click chemistry.  BIORESOURCE TECHNOLOGY,      [PMID:33450627] [10.1016/j.biortech.2021.124689]

2. Chunxia Wang, Fan Yang, Yan Cao, Xing He, Yushu Tang, Yongfeng Li.  (2017)  Cupric oxide nanowires on three-dimensional copper foam for application in click reaction.  RSC Advances,  7  (16): (9567-9572).  [PMID:] [10.1039/C7RA00014F]