1-(Azidomethyl)-4-methylbenzene solution - ≥95%(HPLC) , CAS No.17271-89-5

CAS: 17271-89-5 Cat. No.: A167883 Formule: C₈H₉N₃ Poids moléculaire: 147.18 Beilstein Registry Number: 2438840

GRADE & PURITY ≥95%(HPLC)

Synonyms

1-(azidomethyl)-4-methylbenzene|17271-89-5|Benzene, 1-(azidomethyl)-4-methyl-|1-(azidomethyl)-4-methylbenzene(SALTDATA: FREE)|4-methyl benzyl azide|4-(Azidomethyl)toluene|SCHEMBL14280518|DTXSID00504639|NBXGSUCKCKGTCH-UHFFFAOYSA-N|MFCD11637154|AKOS00517432

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

1-(azidomethyl)-4-methylbenzene | 17271-89-5 | Benzene, 1-(azidomethyl)-4-methyl- | 1-(azidomethyl)-4-methylbenzene(SALTDATA: FREE) | 4-methyl benzyl azide | 4-(Azidomethyl)toluene | SCHEMBL14280518 | DTXSID00504639 | NBXGSUCKCKGTCH-UHFFFAOYSA-N | MFCD11637154 | AKOS00517432

Spécifications et pureté

≥95%(HPLC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%(HPLC)

Noms et identifiants

• Sourires canoniques: CC1=CC=C(C=C1)CN=[N+]=[N-]
• IUPAC Name: 1-(azidomethyl)-4-methylbenzene
• InChIKey: NBXGSUCKCKGTCH-UHFFFAOYSA-N
• INCHI: 1S/C8H9N3/c1-7-2-4-8(5-3-7)6-10-11-9/h2-5H,6H2,1H3
• Isomères SMILES: CC1=CC=C(C=C1)CN=[N+]=[N-]
• WGK Allemagne: 3
• Poids moléculaire: 147.18
• Beilstein: 2438840
• Reaxy-Rn: 2438837
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2438837&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Toluenes
• Alternative Parents: Azo imides Azo compounds Organic salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Toluene - 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 toluenes. These are compounds containing a benzene ring which bears a methane 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

Propriétés chimiques et physiques

• Point d'éclair (°F): -27.4 °F
• Point d'éclair (°C): -33 °C
• Poids moléculaire: 147.180 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 147.08 Da
• Monoisotopic Mass: 147.08 Da
• Topological Polar Surface Area: 14.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 153.000
• 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 17271-89-5, the molecular formula is C8H9N3, and the molecular weight is 147.18 g/mol. InChIKey NBXGSUCKCKGTCH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.