4-에티닐아닐린 - ≥98%(HPLC) , CAS No.14235-81-5

CAS: 14235-81-5 Cat. No.: E156336 분자식: C₈H₇N 분자량: 117.15 Beilstein Registry Number: 2205180 EC 번호: 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

2-8°C, 아르곤 충전 상태로 보관

Shipped In

젖은 얼음

개요

4-에티닐아닐린(p-에티닐아닐린이라고도 함)은 말단 알킨입니다. 2-메틸-3-부틴-2-올(메비놀)을 이용한 합성이 보고되었습니다. 4-에티닐아닐린의 전이 금속 촉매 중합을 통해 폴리(4-에티닐아닐린)을 얻는 방법이 보고되었으며, 4-에티닐아닐린의 표면 기능화가 다중벽 탄소 나노 튜브(MWNT)와 그래핀의 열 거동에 미치는 영향이 조사되었습니다.

4-에티닐아닐린은 N-메틸이노디에틸 4-(4-에티닐페닐이노메틸)벤제네보로네이트 합성에 사용될 수 있습니다. 또한 아세틸렌 리간드인 HC2-NDI(NDI= 1,4,5,8-나프탈렌디이미드)를 제조하는 데에도 사용할 수 있습니다.

팔라듐-페난트롤린 촉매의 존재하에 니트로아렌에서 인돌을 합성할 때 알킨 성분으로 사용됩니다.

Specifications

동의어

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-

사양 및 순도

≥98%(HPLC)

보관 조건

2-8°C, 아르곤 충전 상태로 보관

배송

젖은 얼음

순수함

≥98%(HPLC)

이름과 식별자

Pubchem Sid

504762710

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

WGK 독일

3

분자량

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
    • 분류 Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: Moisture & air & light sensitive
• 녹는점(°C): 98-102 °C
• 분자량: 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

자주 묻는 질문

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.