2-Azidotoluene solution - ≥95%(HPLC), ~0.5M in tert-butyl methyl ether , CAS No.31656-92-5

CAS: 31656-92-5 Cat. No.: A462933 Fórmula: C₇H₇N₃ Peso molecular: 133.15 Número CE: 663-457-0

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

Synonyms

o-Azidotoluene | Benzene, 1-azido-2-methyl- | o-Tolyl azide | LS-12248 | F2157-0463 | AKOS009384806 | Toluene, o-azido- | DTXSID60185549 | 1-azido-2-methylbenzene | SCHEMBL13773364 | 2-Azido-toluol | EN300-112611 | STL192404

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

o-Azidotoluene | Benzene, 1-azido-2-methyl- | o-Tolyl azide | LS-12248 | F2157-0463 | AKOS009384806 | Toluene, o-azido- | DTXSID60185549 | 1-azido-2-methylbenzene | SCHEMBL13773364 | 2-Azido-toluol | EN300-112611 | STL192404

Especificações e pureza

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

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%(HPLC)

Nomes e identificadores

• Sorrisos canónicos: CC1=CC=CC=C1N=[N+]=[N-]
• IUPAC Name: 1-azido-2-methylbenzene
• InChIKey: ZKGVLNVASIPVAU-UHFFFAOYSA-N
• INCHI: 1S/C7H7N3/c1-6-4-2-3-5-7(6)9-10-8/h2-5H,1H3
• SMILES isoméricas: CC1=CC=CC=C1N=[N+]=[N-]
• WGK Alemanha: 3
• Peso molecular: 133.15
• Reaxy-Rn: 1447887
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1447887&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
• Descrição: 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

Propriedades químicas e físicas

• Ponto de inflamação (°F): -27.4 °F
• Ponto de inflamação (°C): -33 °C
• Peso molecular: 133.150 g/mol
• XLogP3: 3.200
• 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: 149.000
• 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