1-Ethynyl-2,4-difluorobenzene - ≥97% , CAS No.302912-34-1

CAS: 302912-34-1 Cat. No.: E156343 Formula: C₈H₄F₂ Molecular Weight: 138.12 EC Number: 629-222-1

GRADE & PURITY ≥97%

Synonyms

E1169 | 8FS | EN300-103707 | F8886-6515 | AKOS010651580 | 1-Ethynyl-2,4-difluorobenzene | 1-ethynyl-2,4-difluoro-benzene | 1ethynyl-2,4-difluorobenzene | A18602 | MFCD02093726 | J-017882 | 1-Ethynyl-2,4-difluorobenzene, 97% | T72256 | DTXSID40407953 | 1-e

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

1-Ethynyl-2,4-difluorobenzene is an alkyne bearing fluoro group in the phenyl ring.

Application：

1-Ethynyl-2,4-difluorobenzene (CM) may be used to synthesize sulfonatedpoly(aryleneether)s containing CM and TFP [4-[Trifluorovinyl(oxy)]phenol].It may also be employed for the preparation of 4-(2,4-difluorophenylethynyl)-3-methyl-5-phenylisoxazole.

Specifications

Synonyms

E1169 | 8FS | EN300-103707 | F8886-6515 | AKOS010651580 | 1-Ethynyl-2,4-difluorobenzene | 1-ethynyl-2,4-difluoro-benzene | 1ethynyl-2,4-difluorobenzene | A18602 | MFCD02093726 | J-017882 | 1-Ethynyl-2,4-difluorobenzene, 97% | T72256 | DTXSID40407953 | 1-e

Specifications & Purity

≥97%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

Pubchem Sid

508807288

Canonical Smiles

C#CC1=C(C=C(C=C1)F)F

IUPAC Name

1-ethynyl-2,4-difluorobenzene

InChIKey

HRUJQXRGWQWYDH-UHFFFAOYSA-N

INCHI

1S/C8H4F2/c1-2-6-3-4-7(9)5-8(6)10/h1,3-5H

Isomeric SMILES

C#CC1=C(C=C(C=C1)F)F

WGK Germany

3

UN Number

1325

Packing Group

III

Molecular Weight

138.12

Reaxy-Rn

9900672

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9900672&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aryl fluorides Acetylides Organofluorides Hydrofluorocarbons Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aryl halide - Aryl fluoride - Acetylide - Hydrofluorocarbon - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: 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: 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: Air Sensitive,Heat Sensitive
• Flash Point(°F): 91.4 °F
• Flash Point(°C): 33 °C
• Boil Point(°C): 50 °C/20 mmHg
• Melt Point(°C): 27 °C
• Molecular Weight: 138.110 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 138.028 Da
• Monoisotopic Mass: 138.028 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 156.000
• 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