3-Ethynyl-4-fluoroaniline - ≥95% , CAS No.77123-60-5

CAS: 77123-60-5 Cat. No.: E186531 Formula: C₈H₆FN Peso molecolare: 135.1

GRADE & PURITY ≥95%

Synonyms

3-Ethynyl-4-fluoroaniline|77123-60-5|MFCD09029299|3-Ethynyl-4-fluorobenzenamine|3-Ethynyl-4-fluoro-aniline|SCHEMBL641650|DTXSID30506904|HWMVCSBQJWRQNF-UHFFFAOYSA-N|AMY14041|AKOS006291572|GS-4117|AC-14014|SY104916|FT-0660391|EN300-2978025|A865357|J-512442|

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

3-Ethynyl-4-fluoroaniline | 77123-60-5 | MFCD09029299 | 3-Ethynyl-4-fluorobenzenamine | 3-Ethynyl-4-fluoro-aniline | SCHEMBL641650 | DTXSID30506904 | HWMVCSBQJWRQNF-UHFFFAOYSA-N | AMY14041 | AKOS006291572 | GS-4117 | AC-14014 | SY104916 | FT-0660391 | EN300-2978025 | A865357 | J-512442 |

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: C#CC1=C(C=CC(=C1)N)F
• IUPAC Name: 3-ethynyl-4-fluoroaniline
• InChIKey: HWMVCSBQJWRQNF-UHFFFAOYSA-N
• INCHI: 1S/C8H6FN/c1-2-6-5-7(10)3-4-8(6)9/h1,3-5H,10H2
• Isomeri SMILES: C#CC1=C(C=CC(=C1)N)F
• Peso molecolare: 135.1
• Reaxy-Rn: 4378771
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4378771&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Fluorobenzenes Aryl fluorides Acetylides Primary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Acetylide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene 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

Proprietà chimiche e fisiche

• Peso molecolare: 135.140 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 135.048 Da
• Monoisotopic Mass: 135.048 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 158.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 77123-60-5, the molecular formula is C8H6FN, and the molecular weight is 135.1 g/mol. InChIKey HWMVCSBQJWRQNF-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.