3,4-Difluorostyrene - ≥98%, Containing stabilizer , CAS No.405-03-8

CAS: 405-03-8 Cat. No.: D184362 Molecular Weight: 140.1 EC Number: 812-993-5

GRADE & PURITY ≥98%, Containing stabilizer

Synonyms

AKOS006330038 | A825140 | 3,4-Difluorostyene | DTXSID10607963 | VPKZWIGZODEBDP-UHFFFAOYSA-N | 3,4-Difluorostyrene | SCHEMBL248639 | FT-0690828 | EN300-1243671 | 4-ethenyl-1,2-difluorobenzene | MFCD09038471 | 1,2-difluoro-4-vinylbenzene | 4-ethenyl-1,2-bis

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AKOS006330038 | A825140 | 3, 4-Difluorostyene | DTXSID10607963 | VPKZWIGZODEBDP-UHFFFAOYSA-N | 3, 4-Difluorostyrene | SCHEMBL248639 | FT-0690828 | EN300-1243671 | 4-ethenyl-1, 2-difluorobenzene | MFCD09038471 | 1, 2-difluoro-4-vinylbenzene | 4-ethenyl-1, 2-bis

Specifications & Purity

≥98%, Containing stabilizer

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C=CC1=CC(=C(C=C1)F)F
• IUPAC Name: 4-ethenyl-1,2-difluorobenzene
• InChIKey: VPKZWIGZODEBDP-UHFFFAOYSA-N
• INCHI: 1S/C8H6F2/c1-2-6-3-4-7(9)8(10)5-6/h2-5H,1H2
• Isomeric SMILES: C=CC1=CC(=C(C=C1)F)F
• UN Number: 1993
• Packing Group: III
• Molecular Weight: 140.1
• Reaxy-Rn: 19663615
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19663615&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Styrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Fluorobenzenes Aryl fluorides Organofluorides Hydrofluorocarbons Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Hydrofluorocarbon - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
• 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 140.130 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 140.044 Da
• Monoisotopic Mass: 140.044 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 122.000
• 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