1,4-Difluorobenzene - ≥98% , CAS No.540-36-3

CAS: 540-36-3 Cat. No.: D113734 Summenformel: C₆H₄F₂ Molekulargewicht: 114.09 Beilstein Registry Number: 1904541 EG-Nummer: 208-742-9

GRADE & PURITY ≥98%

Synonyms

Benzene, p-difluoro- | QUGUFLJIAFISSW-UHFFFAOYSA- | WLN: FR DF | Y9FQ2EF0Z6 | EINECS 208-742-9 | 1,4-DIFLUOROBENZENE | 1,4-Difluoro-benzene | 1,4-Difluorobenzene, >=99% | Q27117911 | 1,4-bis(fluoranyl)benzene | 2,5-difluorobenzene | EN300-20356 | CHEBI:38

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyme

Benzene, p-difluoro- | QUGUFLJIAFISSW-UHFFFAOYSA- | WLN: FR DF | Y9FQ2EF0Z6 | EINECS 208-742-9 | 1,4-DIFLUOROBENZENE | 1,4-Difluoro-benzene | 1,4-Difluorobenzene, >=99% | Q27117911 | 1,4-bis(fluoranyl)benzene | 2,5-difluorobenzene | EN300-20356 | CHEBI:38

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

FedEx DG Service

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504752021

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752021

Kanonisches Lächeln

C1=CC(=CC=C1F)F

IUPAC Name

1,4-difluorobenzene

InChIKey

QUGUFLJIAFISSW-UHFFFAOYSA-N

INCHI

1S/C6H4F2/c7-5-1-2-6(8)4-3-5/h1-4H

Isomere SMILES

C1=CC(=CC=C1F)F

WGK Deutschland

3

RTECS

CZ5658000

UN-Nummer

1993

Molekulargewicht

114.09

Beilstein

1904541

Reaxy-Rn

1904541

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1904541&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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: difluorobenzene

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water, soluble in ethanol, etc.
• Empfindlichkeit: Moisture sensitive
• Brechungsindex: 1.44-1.442
• Flammpunkt (°F): 35.6 °F
• Flammpunkt (°C): 2℃
• Siedepunkt (°C): 88°C-89°C
• Schmelzpunkt (°C): -13°C
• Molekulargewicht: 114.090 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 114.028 Da
• Monoisotopic Mass: 114.028 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 54.900
• 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