5-éthynyl-1,2,3-trifluorobenzène - ≥98% , CAS No.158816-55-8

CAS: 158816-55-8 Cat. No.: E156342 Formule: C₈H₃F₃ Poids moléculaire: 156.11 Numéro CE: 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

Stocker à 2-8°C, chargé d'argon

Shipped In

Glace humide

Specifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Stocker à 2-8°C, chargé d'argon

Expédié en

Glace humide

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488200211
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200211
• Sourires canoniques: 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
• Isomères SMILES: C#CC1=CC(=C(C(=C1)F)F)F
• Poids moléculaire: 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
    • 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 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

Propriétés chimiques et physiques

• Sensibilité: Air Sensitive,Heat Sensitive
• Indice de réfraction: 1.47
• Point d'éclair (°C): 35 °C
• Poids moléculaire: 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

Foire aux questions

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.