4-Azidotoluene solution - ≥95%(HPLC), ~0.5M in tert-butyl methyl ether , CAS No.2101-86-2

CAS: 2101-86-2 Cat. No.: A462931 Formule: C₇H₇N₃ Poids moléculaire: 133.15 Numéro CE: 664-281-7

GRADE & PURITY ≥95%(HPLC), ~0.5M in tert-butyl methyl ether

Synonyms

Toluene, p-azido- | AKOS009175119 | 4-Tolyl azide | Benzene, 1-azido-4-methyl- | EN300-31364 | F2157-0461 | CAA10186 | SCHEMBL13455418 | 4-Methylphenyl azide | DTXSID90175216 | p-Azidotoluene | LS-12246 | 4-Azido-toluol | p-Tolyl azide | STL192398 | 1-Azi

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Description

4-Azidotoluene is an aromatic azide generally used in copper(I)-catalyzed azide-alkyne cycloaddition reactions.4-Azidotoluene solution may be used for the functionalization at the axial position of boron subphthalocyanines with a terminal acetylene functionality via copper(I)-catalyzed azide-alkyne cycloaddition in the presence of Hunig′s base.

Specifications

Synonymes

Toluene, p-azido- | AKOS009175119 | 4-Tolyl azide | Benzene, 1-azido-4-methyl- | EN300-31364 | F2157-0461 | CAA10186 | SCHEMBL13455418 | 4-Methylphenyl azide | DTXSID90175216 | p-Azidotoluene | LS-12246 | 4-Azido-toluol | p-Tolyl azide | STL192398 | 1-Azi

Spécifications et pureté

≥95%(HPLC), ~0.5M in tert-butyl methyl ether

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%(HPLC)

Noms et identifiants

• Sourires canoniques: CC1=CC=C(C=C1)N=[N+]=[N-]
• IUPAC Name: 1-azido-4-methylbenzene
• InChIKey: YVXDRCDGBCOJHX-UHFFFAOYSA-N
• INCHI: 1S/C7H7N3/c1-6-2-4-7(5-3-6)9-10-8/h2-5H,1H3
• Isomères SMILES: CC1=CC=C(C=C1)N=[N+]=[N-]
• WGK Allemagne: 3
• Poids moléculaire: 133.15
• Reaxy-Rn: 1841411
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1841411&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylazides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylazides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylazides
• Alternative Parents: Toluenes Azo imides Azo compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylazide - Toluene - Azo imide - Azo compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylazides. These are compounds containing a phenylazide moiety, which consists of a linear azide substituent attached to a phenyl group.
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• Point d'éclair (°F): -27.4 °F
• Point d'éclair (°C): -33 °C
• Poids moléculaire: 133.150 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• 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: 141.000
• 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