3-Ethynylaniline - ≥98% , CAS No.54060-30-9

CAS: 54060-30-9 Cat. No.: E109740 分子式: C₈H₇N 分子量: 117.15 EC番号: 258-944-6

グレード＆純度 ≥98%

Synonyms

A7863 | CAS-110-26-9 | HY-W007423 | 3-ethynylbenzenamine | A1122 | F11443 | m-Aminophenylacetylene | isooctylnitrate | 3-Ethynylaniline | 3-ethynyl-aniline | 3-ethynylphenylamine | 3-ethynyl-phenylamine | STR05978 | 3-Ethynyl aniline | N,N'-ETHYLENEBIS(ST

Storage

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

Shipped In

Wet ice

概要

It is used as Pharmaceutical intermediate.

3-Ethynylaniline is a terminal alkyne that can be prepared by the reduction of 3-ethylnylnitrobenzene

仕様

同義語

A7863 | CAS-110-26-9 | HY-W007423 | 3-ethynylbenzenamine | A1122 | F11443 | m-Aminophenylacetylene | isooctylnitrate | 3-Ethynylaniline | 3-ethynyl-aniline | 3-ethynylphenylamine | 3-ethynyl-phenylamine | STR05978 | 3-Ethynyl aniline | N,N'-ETHYLENEBIS(ST

仕様と純度

≥98%

申し込み

3-Ethynylaniline may be used in the synthesis of the following benzoxazine monomers: bis{4-[3-(3-ethynylphenyl)(2H,4Hbenzo[3,4-e]1,3-oxazin-6-yloxy)]phenyl}phenylphosphino-1-one [3-(3-ethynylphenyl)(2H,4Hbenzo[3,4-e]1,3-oxazaperhydroin-6-yl)][3-(3-ethynyl

保管条件

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

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

488187366

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488187366

カノニカル・スマイル

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

IUPAC Name

3-ethynylaniline

InChIKey

NNKQLUVBPJEUOR-UHFFFAOYSA-N

INCHI

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

異性体SMILES

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

WGKドイツ

3

UN番号

1993

分子量

117.15

Reaxy-Rn

2935417

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2935417&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Insoluble in water.
• 感度: Air sensitive;Light sensitive
• 屈折率: 1.6150 to 1.6190
• 引火点（°F）: 212 °F
• 沸点（°C）: 120°C/20mmHg
• 分子量: 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: 131.000
• 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

よくある質問

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, 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 54060-30-9, the molecular formula is C8H7N, and the molecular weight is 117.15 g/mol. InChIKey NNKQLUVBPJEUOR-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.