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 Formula: C₆H₄FN₃ Peso molecolare: 137.11 Beilstein Registry Number: 1939307 Numero 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

Sinonimi

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

Specifiche e purezza

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

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%(HPLC)

Nomi e identificatori

• Sorrisi canonici: 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
• Isomeri SMILES: C1=CC(=CC=C1N=[N+]=[N-])F
• Numero UN: 2398
• Peso molecolare: 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
    • 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: 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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): -18.4 °F
• Punto di infiammabilità (°C): -28 °C
• Peso molecolare: 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

Domande frequenti

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.