4-Ethynyl-1-fluoro-2-methylbenzene - ≥97% , CAS No.351002-93-2

CAS: 351002-93-2 Cat. No.: E331048 Formula: FC₆H₃(CH₃)C≡CH Peso molecolare: 134.15 Numero EC: 625-006-6

GRADE & PURITY ≥97%

Synonyms

GSGKOWLZNQXGAI-UHFFFAOYSA-N | 1-Ethynyl-4-fluoro-3-methyl-benzene | 4-Ethynyl-1-fluoro-2-methylbenzene | 4-ethynyl-1-fluoro-2-methyl-Benzene | DTXSID30584121 | 2-AMINO-2-(1-METHYLCYCLOPROPYL)PROPIONICACID | 4-Ethynyl-1-fluoro-2-methylbenzene, 97% | J-0198

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

Product description：

4-Ethynyl-1-fluoro-2-methylbenzene has been reported to afford 1,4-disubstituted 1,2,3-triazole on reaction with azide under typical Cu(I)-catalyzed azide alkyne cycloaddition (CuAAC) conditions.

Specifications

Sinonimi

GSGKOWLZNQXGAI-UHFFFAOYSA-N | 1-Ethynyl-4-fluoro-3-methyl-benzene | 4-Ethynyl-1-fluoro-2-methylbenzene | 4-ethynyl-1-fluoro-2-methyl-Benzene | DTXSID30584121 | 2-AMINO-2-(1-METHYLCYCLOPROPYL)PROPIONICACID | 4-Ethynyl-1-fluoro-2-methylbenzene, 97% | J-0198

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 504768240
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768240
• Sorrisi canonici: CC1=C(C=CC(=C1)C#C)F
• IUPAC Name: 4-ethynyl-1-fluoro-2-methylbenzene
• InChIKey: GSGKOWLZNQXGAI-UHFFFAOYSA-N
• INCHI: 1S/C9H7F/c1-3-8-4-5-9(10)7(2)6-8/h1,4-6H,2H3
• Isomeri SMILES: CC1=C(C=CC(=C1)C#C)F
• WGK Germania: 3
• Numero UN: 1993
• Gruppo di imballaggio: III
• Peso molecolare: 134.15
• Reaxy-Rn: 10334786
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10334786&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: Toluenes Aryl fluorides Acetylides Organofluorides Hydrofluorocarbons Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Toluene - Fluorobenzene - Aryl halide - Aryl fluoride - Acetylide - Hydrofluorocarbon - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): 98.6 °F
• Punto di infiammabilità (°C): 37 °C
• Punto di ebollizione (°C): 169 - 170° C
• Peso molecolare: 134.150 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 134.053 Da
• Monoisotopic Mass: 134.053 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 153.000
• 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