Fluorobenzene - CP , CAS No.462-06-6

CAS: 462-06-6 Cat. No.: F107099 Formula: C₆H₅F Peso molecolare: 96.1 Beilstein Registry Number: 1236623 Numero EC: 207-321-7

GRADE & PURITY CP

Synonyms

A827008 | 4-fluorobenzene | p-fluorobenzene | Tox21_201054 | Fluobenzene | Fluorobenzene 2000 microg/mL in Methanol | J-521369 | C6H5F | CHEBI:5115 | FT-0626473 | Fluorobenzenes | AI3-28560 | NCGC00091679-01 | Phenyl fluoride | Benzene, fluoro- | fluorany

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinonimi

A827008 | 4-fluorobenzene | p-fluorobenzene | Tox21_201054 | Fluobenzene | Fluorobenzene 2000 microg/mL in Methanol | J-521369 | C6H5F | CHEBI:5115 | FT-0626473 | Fluorobenzenes | AI3-28560 | NCGC00091679-01 | Phenyl fluoride | Benzene, fluoro- | fluorany

Specifiche e purezza

CP

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

FedEx DG Service

Grado

CP

Nomi e identificatori

Pubchem Sid

504751896

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751896

Sorrisi canonici

C1=CC=C(C=C1)F

IUPAC Name

fluorobenzene

InChIKey

PYLWMHQQBFSUBP-UHFFFAOYSA-N

INCHI

1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H

Isomeri SMILES

C1=CC=C(C=C1)F

WGK Germania

1

Numero UN

2387

Gruppo di imballaggio

II

Peso molecolare

96.1

Beilstein

1236623

Reaxy-Rn

1236623

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1236623&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aryl fluorides Organofluorides Hydrofluorocarbons Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aryl halide - Aryl fluoride - Hydrofluorocarbon - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• External Descriptors: a small molecule

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

Obiettivi associati (umani)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.4684
• Punto di infiammabilità (°C): -12.78℃
• Punto di ebollizione (°C): 85.2°C
• Punto di fusione (°C): -41.2°C
• Peso molecolare: 96.100 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 96.0375 Da
• Monoisotopic Mass: 96.0375 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 46.100
• 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

How should this product be stored?

Store at room temperature.

What does CP mean?

CP is a defined analytical purity tier suitable for general analytical and reagent applications. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. CP is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 462-06-6, the molecular formula is C6H5F, and the molecular weight is 96.1 g/mol. InChIKey PYLWMHQQBFSUBP-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.