Anthraquinone - Melting point standard , CAS No.84-65-1

CAS: 84-65-1 Cat. No.: A119546 Formula: C₁₄H₈O₂ Peso molecolare: 208.21 Beilstein Registry Number: 390030 Numero EC: 201-549-0

QUALITÀ & PUREZZA Melting point standard

Synonyms

Anthracene,10-dihydro-9,10-dioxo- | Anthraquinone, 97% | Spectrum3_001501 | Morkit | 9,10-dihydroanthracene-9,10-dione | A-8000 | KBio2_007143 | 030MS0JBDO | Anthraquinone 100 microg/mL in Acetonitrile | InChI=1/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

Anthracene,10-dihydro-9,10-dioxo- | Anthraquinone, 97% | Spectrum3_001501 | Morkit | 9,10-dihydroanthracene-9,10-dione | A-8000 | KBio2_007143 | 030MS0JBDO | Anthraquinone 100 microg/mL in Acetonitrile | InChI=1/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-

Specifiche e purezza

Melting point standard

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

Melting point standard

Nomi e identificatori

Pubchem Sid

528775575

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528775575

Sorrisi canonici

C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O

IUPAC Name

anthracene-9,10-dione

InChIKey

RZVHIXYEVGDQDX-UHFFFAOYSA-N

INCHI

1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H

Isomeri SMILES

C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O

WGK Germania

1

RTECS

CB4725000

Peso molecolare

208.21

Beilstein

390030

Reaxy-Rn

390030

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=390030&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: Aryl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthraquinone - 9,10-anthraquinone - Aryl ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
• External Descriptors: an anthraquinone

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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): 365 °F
• Punto di infiammabilità (°C): 185℃
• Punto di ebollizione (°C): 377°C
• Punto di fusione (°C): 286°C
• Peso molecolare: 208.210 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 208.052 Da
• Monoisotopic Mass: 208.052 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 261.000
• 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