9-Acetylanthracene - ≥98% , CAS No.784-04-3

CAS: 784-04-3 Cat. No.: A472634 분자식: C₁₆H₁₂O 분자량: 220.27

GRADE & PURITY ≥98%

Synonyms

1-anthracen-9-ylethanone | 1-anthracen-9-yl-ethanone | Q63398191 | 1-(anthracen-9-yl)ethanone | AMY2861 | NCGC00341936-01 | NSC1143 | NSC-1143 | AKOS003349144 | 9-Acetylanthrancene | SY109412 | 9-Anthryl methyl ketone | InChI=1/C16H12O/c1-11(17)16-14-8-4-

Storage

Room temperature

개요

Description

9-Acetylanthracene is used in the synthesis of luminescent moieties such as (9-anthryl)pyrazole (ANP) and 2,2-difluoro-4-(9-anthracyl)-6-methyl-1,3,2-dioxaborine. It is also used as a carrier ligand in the synthesis of fluorescent platinum(II) compounds.

Specifications

동의어

1-anthracen-9-ylethanone | 1-anthracen-9-yl-ethanone | Q63398191 | 1-(anthracen-9-yl)ethanone | AMY2861 | NCGC00341936-01 | NSC1143 | NSC-1143 | AKOS003349144 | 9-Acetylanthrancene | SY109412 | 9-Anthryl methyl ketone | InChI=1/C16H12O/c1-11(17)16-14-8-4-

사양 및 순도

≥98%

보관 조건

Room temperature

순수함

≥98%

이름과 식별자

• Pubchem Sid: 488184435
• 정식 스마일: CC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31
• IUPAC Name: 1-anthracen-9-ylethanone
• InChIKey: NXXNVJDXUHMAHU-UHFFFAOYSA-N
• INCHI: 1S/C16H12O/c1-11(17)16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-10H,1H3
• 이성체 SMILES: CC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31
• 분자량: 220.27
• Reaxy-Rn: 1370056
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1370056&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Anthracenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenes
• Alternative Parents: Acetophenones Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthracene - Acetophenone - Aryl alkyl ketone - Aryl ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
• 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

• 녹는점(°C): 72-76 °C (lit.)
• 분자량: 220.260 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 220.089 Da
• Monoisotopic Mass: 220.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 274.000
• 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?

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 room temperature.

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

The CAS Number is 784-04-3, the molecular formula is C16H12O, and the molecular weight is 220.27 g/mol. InChIKey NXXNVJDXUHMAHU-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.