4-Ethynylaniline(P-APAC) - ≥98%(HPLC) , CAS No.14235-81-5

CAS: 14235-81-5 Cat. No.: E156336 Fórmula: C₈H₇N Peso molecular: 117.15 Beilstein Registry Number: 2205180 Número EC: 628-948-6

GRADE & PURITY ≥98%(HPLC)

Synonyms

P-APAC | p-aminophenylacetylene | p-aminophenyl-acetylene | AKOS005257063 | 1T-1123 | MFCD00168824 | Benzenamine, 4-ethynyl- | SY035744 | F13709 | 4-Ethynyl-phenylamine | SCHEMBL106193 | E0505 | (4-ethynylphenyl)amine | (4-ethynyl-phenyl)-amine | 1-Amino-

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

4-Ethynylaniline, also known as p-ethynylaniline, is a terminal alkyne. Its synthesis using 2-methyl-3-butyn-2-ol (MEBYNOL) has been reported. The transition metal catalyzed polymerization of 4-ethynylaniline to afford poly(4-ethynylaniline) has been reported.The impact of the surface functionalization with 4-ethynylaniline on the thermal behavior of multi-walled carbon nanotubes (MWNTs) and graphene has been investigated.

4-Ethynylaniline may be used in the synthesis of N-methyliminodiethyl 4-(4-ethynylphenyliminomethyl)benzeneboronate. It can also be used to prepare an acetylene ligand, HC2-NDI (NDI= 1,4,5,8-naphthalenediimide).

Used as an alkyne component in a synthesis of indoles from nitroarenes in the presence of a palladium-phenantroline catalyst.

Specifications

Sinónimos

P-APAC | p-aminophenylacetylene | p-aminophenyl-acetylene | AKOS005257063 | 1T-1123 | MFCD00168824 | Benzenamine, 4-ethynyl- | SY035744 | F13709 | 4-Ethynyl-phenylamine | SCHEMBL106193 | E0505 | (4-ethynylphenyl)amine | (4-ethynyl-phenyl)-amine | 1-Amino-

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(HPLC)

Nombres e identificadores

Pubchem Sid

504762710

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762710

Sonrisas canónicas

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

IUPAC Name

4-ethynylaniline

InChIKey

JXYITCJMBRETQX-UHFFFAOYSA-N

INCHI

1S/C8H7N/c1-2-7-3-5-8(9)6-4-7/h1,3-6H,9H2

Isómeros SMILES

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

WGK Alemania

3

Peso molecular

117.15

Beilstein

2205180

Reaxy-Rn

2205181

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2205181&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Acetylides Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Acetylide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Moisture & air & light sensitive
• Punto de fusión (°C): 98-102 °C
• Peso molecular: 117.150 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 117.058 Da
• Monoisotopic Mass: 117.058 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 123.000
• 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

Preguntas frecuentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, 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 14235-81-5, the molecular formula is C8H7N, and the molecular weight is 117.15 g/mol. InChIKey JXYITCJMBRETQX-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.