1-Azido-4-fluorobenzene solution - ≥95%(HPLC), ~0.5M in tert-butyl methyl ether , CAS No.3296-02-4

CAS: 3296-02-4 Cat. No.: A462934 Fórmula: C₆H₄FN₃ Peso molecular: 137.11 Beilstein Registry Number: 1939307 Número EC: 663-390-7

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

Synonyms

AKOS009325426 | STL192402 | LS-12250 | DTXSID20447110 | 4-fluorophenylazide | 1-Azido-4-fluorobenzene 0.5 M in tert-butyl methyl ether | EN300-85102 | p-fluorophenyl azide | SCHEMBL13754459 | VHFLTICYUZLEII-UHFFFAOYSA-N | 1-azido-4-fluorobenzene | 1-azido

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

AKOS009325426 | STL192402 | LS-12250 | DTXSID20447110 | 4-fluorophenylazide | 1-Azido-4-fluorobenzene 0.5 M in tert-butyl methyl ether | EN300-85102 | p-fluorophenyl azide | SCHEMBL13754459 | VHFLTICYUZLEII-UHFFFAOYSA-N | 1-azido-4-fluorobenzene | 1-azido

Especificaciones y pureza

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

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%(HPLC)

Nombres e identificadores

Sonrisas canónicas

C1=CC(=CC=C1N=[N+]=[N-])F

IUPAC Name

1-azido-4-fluorobenzene

InChIKey

VHFLTICYUZLEII-UHFFFAOYSA-N

INCHI

1S/C6H4FN3/c7-5-1-3-6(4-2-5)9-10-8/h1-4H

Isómeros SMILES

C1=CC(=CC=C1N=[N+]=[N-])F

Número ONU

2398

Peso molecular

137.11

Beilstein

1939307

Reaxy-Rn

1939307

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1939307&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylazides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylazides
• Alternative Parents: Fluorobenzenes Aryl fluorides Azo imides Azo compounds Organofluorides Organic salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylazide - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Azo imide - Azo compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic cation - Aromatic homomonocyclic compound
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de inflamación (°F): -18.4 °F
• Punto de inflamación (°C): -28 °C
• Peso molecular: 137.110 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 137.039 Da
• Monoisotopic Mass: 137.039 Da
• Topological Polar Surface Area: 14.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 145.000
• 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

Preguntas frecuentes

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 ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 3296-02-4, the molecular formula is C6H4FN3, and the molecular weight is 137.11 g/mol. InChIKey VHFLTICYUZLEII-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.