Benzyl azide - ≥90% , CAS No.622-79-7

CAS: 622-79-7 Cat. No.: B189174 Formula: C₇H₇N₃ Molecular Weight: 133.15 EC Number: 680-691-9

GRADE & PURITY ≥90%

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

Product Introduction

Benzyl azide is an aromatic azide, commonly used in copper (I) catalyzed azide-alkyne cycloaddition reaction.

Product Application
Benzyl azide is used in the synthesis of 1,2,3-triazole derivatives. It serves as a reagent used to introduce a PhCH2N group into a molecule.

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

≥90%

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

≥90%

Names and Identifiers

Pubchem Sid

504752270

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752270

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

• Solubility: Insoluble in waterMiscible with ethanol and diethyl ether. Immiscible with water
• Sensitivity: light sensitive
• 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