5-Ethynyl-1,2,3-trifluorobenzene - ≥98% , CAS No.158816-55-8

CAS: 158816-55-8 Cat. No.: E156342 Summenformel: C₈H₃F₃ Molekulargewicht: 156.11 EG-Nummer: 692-023-3

GRADE & PURITY ≥98%

Synonyms

A18250 | BZXWRVPVZZZAKB-UHFFFAOYSA-N | W17680 | DTXSID40627654 | E1078 | EN300-1847503 | 3,4,5-Trifluorophenylacetylene | MFCD08458177 | SY031083 | BENZENE,5-ETHYNYL-1,2,3-TRIFLUORO- | 3,4,5-trifluorophenylacetylene, AldrichCPR | 5-ethynyl-1,2,3-trifluoro

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

A18250 | BZXWRVPVZZZAKB-UHFFFAOYSA-N | W17680 | DTXSID40627654 | E1078 | EN300-1847503 | 3,4,5-Trifluorophenylacetylene | MFCD08458177 | SY031083 | BENZENE,5-ETHYNYL-1,2,3-TRIFLUORO- | 3,4,5-trifluorophenylacetylene, AldrichCPR | 5-ethynyl-1,2,3-trifluoro

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488200211

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488200211

Kanonisches Lächeln

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

IUPAC Name

5-ethynyl-1,2,3-trifluorobenzene

InChIKey

BZXWRVPVZZZAKB-UHFFFAOYSA-N

INCHI

1S/C8H3F3/c1-2-5-3-6(9)8(11)7(10)4-5/h1,3-4H

Isomere SMILES

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

Molekulargewicht

156.11

Reaxy-Rn

11519488

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11519488&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 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
• 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: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive,Heat Sensitive
• Brechungsindex: 1.47
• Flammpunkt (°C): 35 °C
• Molekulargewicht: 156.100 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 156.019 Da
• Monoisotopic Mass: 156.019 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 169.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 158816-55-8, the molecular formula is C8H3F3, and the molecular weight is 156.11 g/mol. InChIKey BZXWRVPVZZZAKB-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.