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 Molecular Weight: 137.11 Beilstein Registry Number: 1939307 EC Number: 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

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

Specifications & Purity

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%(HPLC)

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1=CC(=CC=C1N=[N+]=[N-])F
• UN Number: 2398
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Phenylazides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• 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

Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°F): -18.4 °F
• Flash Point(°C): -28 °C
• Molecular Weight: 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