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

CAS: 84-65-1 Cat. No.: A119546 Fórmula: C₁₄H₈O₂ Peso molecular: 208.21 Beilstein Registry Number: 390030 Número EC: 201-549-0

CALIDAD & PUREZA 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

Especificaciones

Sinónimos

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-

Especificaciones y pureza

Melting point standard

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Melting point standard

Nombres e identificadores

Pubchem Sid

528775575

Pubchem Sid Url

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

Sonrisas canónicas

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

Isómeros SMILES

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

WGK Alemania

1

RTECS

CB4725000

Peso molecular

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
    • Clase Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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MAOB Tclin Monoamine oxidase B (8835 Activities)

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RXRA Tclin Retinoid X receptor alpha (3637 Activities)

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PDK4 Tchem Pyruvate dehydrogenase kinase isoform 4 (177 Activities)

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AGS (1999 Activities)

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HL-60 (67320 Activities)

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J82 (505 Activities)

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MRC5 (9203 Activities)

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SK-MES-1 (413 Activities)

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A2780 (11979 Activities)

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EHMT1 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 5 (407 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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UGT1A1 Tchem UDP-glucuronosyltransferase 1-1 (448 Activities)

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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UGT1A8 Tbio UDP-glucuronosyltransferase 1-8 (233 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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Objetivos asociados (no humanos)

Cdc25b Dual specificity phosphatase Cdc25B (32 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Zea mays (820 Activities)

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Plasmodium falciparum (966862 Activities)

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Columba livia (47 Activities)

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Botrytis cinerea (4183 Activities)

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Lactuca sativa (1092 Activities)

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Dusp6 Dual specificity protein phosphatase 6 (459 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Dusp1 Dual specificity protein phosphatase 1 (15 Activities)

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Cucumis sativus (803 Activities)

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Erwinia amylovora (182 Activities)

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Sclerotinia sclerotiorum (877 Activities)

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Solanum lycopersicum (493 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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FTL Ferritin light chain (43324 Activities)

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Grin1 Glutamate NMDA receptor (6467 Activities)

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ESR1 Estrogen receptor (4 Activities)

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Verticillium dahliae (119 Activities)

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Capsicum annuum (15 Activities)

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Sclerotinia minor (10 Activities)

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Solanum melongena (11 Activities)

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Brassica oleracea var. italica (9 Activities)

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Brassica oleracea (32 Activities)

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Cucumis melo (2 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de inflamación (°F): 365 °F
• Punto de inflamación (°C): 185℃
• Punto de ebullición (°C): 377°C
• Punto de fusión (°C): 286°C
• Peso molecular: 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