4-Phenyl-3-butyn-2-one - ≥97% , CAS No.1817-57-8

CAS: 1817-57-8 Cat. No.: P160127 분자식: C₁₀H₈O 분자량: 144.17 Beilstein Registry Number: 7(4)1175 EC 번호: 217-327-1 PubChem CID: 74555

GRADE & PURITY ≥97%

Synonyms

CHEBI:51731 | BRN 0878583 | MFCD00008776 | DTXSID50171178 | P1336 | CBiol_000156 | Q27122725 | SY051763 | 4-Phenyl-3-butyn-2-one | 4-07-00-01175 (Beilstein Handbook Reference) | EINECS 217-327-1 | J-011625 | AKOS015840572 | F21355 | ICCB2_000156 | 4-Pheny

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

개요

4-Phenyl-3-butyn-2-one is an α,β-ketoalkyne. Reaction of 4-phenyl-3-butyn-2-one with bromine chloride and iodine monochloride in CH2Cl2, CH2Cl2/pyridine and MeOH are studied.[1] Reduction of 4-phenyl-3-butyn-2-one in THF solution has been reported.

Specifications

동의어

CHEBI:51731 | BRN 0878583 | MFCD00008776 | DTXSID50171178 | P1336 | CBiol_000156 | Q27122725 | SY051763 | 4-Phenyl-3-butyn-2-one | 4-07-00-01175 (Beilstein Handbook Reference) | EINECS 217-327-1 | J-011625 | AKOS015840572 | F21355 | ICCB2_000156 | 4-Pheny

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥97%

이름과 식별자

• Pubchem Sid: 504754822
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754822
• 정식 스마일: CC(=O)C#CC1=CC=CC=C1
• IUPAC Name: 4-phenylbut-3-yn-2-one
• InChIKey: UPEUQDJSUFHFQP-UHFFFAOYSA-N
• INCHI: 1S/C10H8O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,1H3
• 이성체 SMILES: CC(=O)C#CC1=CC=CC=C1
• WGK 독일: 3
• RTECS: ES0890000
• PubChem CID: 74555
• 분자량: 144.17
• Beilstein: 7(4)1175
• Reaxy-Rn: 878583

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Alpha,beta-unsaturated ketones Ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Alpha,beta-unsaturated ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: ynone

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

관련 대상(비인간)

Caenorhabditis elegans (1055 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Insoluble in water.
• 감도: air&light sensitive
• 굴절률: 1.57
• 발화점(°F): 203 °F
• 발화점(°C): 95°C(lit.)
• 끓는점(°C): 130°C/22mmHg(lit.)
• 분자량: 144.170 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 144.058 Da
• Monoisotopic Mass: 144.058 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 197.000
• 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

참고 문헌

1. Yating Zou, Jinghui Zhou, Yongyi Zeng, Zhimiao Luo, Bishuang Chen, Lan Liu, Gang Xu.  (2026)  How Ene-Reductases Generate Both (E)- and (Z)-Alkenes From Alkynes.  ADVANCED SYNTHESIS & CATALYSIS,  368  (15): (e70681).  [PMID:] [10.1002/adsc.70681]

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C 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 1817-57-8, the molecular formula is C10H8O, and the molecular weight is 144.17 g/mol. InChIKey UPEUQDJSUFHFQP-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.