2,3-Dichloro-5,8-dihydroxy-1,4-naphthoquinone - ≥97%(HPLC)(T) , CAS No.14918-69-5

CAS: 14918-69-5 Cat. No.: D154236 Peso molecular: 259.04 Beilstein Registry Number: 8(4)2948 Número EC: 623-715-5

GRADE & PURITY ≥97%(HPLC)(T)

Synonyms

2,3-Dichloro-5,8-dihydroxy-1,4-naphthoquinone, 95% | 2,3-Dichloro-5,8-dihydroxy-1,4-naphthoquinone | 2,3-dichloro-5,8-dihydroxy-naphthalene-1,4-dione | 2,3-dichloro-5,8-dihydroxynaphthalene-1,4-dione | SPECTRUM1505158 | F19943 | BDBM50505246 | BRD-K186771

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

2, 3-Dichloro-5, 8-dihydroxy-1, 4-naphthoquinone, 95% | 2, 3-Dichloro-5, 8-dihydroxy-1, 4-naphthoquinone | 2, 3-dichloro-5, 8-dihydroxy-naphthalene-1, 4-dione | 2, 3-dichloro-5, 8-dihydroxynaphthalene-1, 4-dione | SPECTRUM1505158 | F19943 | BDBM50505246 | BRD-K186771

Especificaciones y pureza

≥97%(HPLC)(T)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Pureza

≥97%(HPLC)(T)

Nombres e identificadores

• Pubchem Sid: 504750766
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750766
• Sonrisas canónicas: C1=CC(=O)C2=C(C1=O)C(=C(C(=C2O)Cl)Cl)O
• IUPAC Name: 6,7-dichloro-5,8-dihydroxynaphthalene-1,4-dione
• InChIKey: KFAVXUQFBGHURZ-UHFFFAOYSA-N
• INCHI: 1S/C10H4Cl2O4/c11-7-8(12)10(16)6-4(14)2-1-3(13)5(6)9(7)15/h1-2,15-16H
• Isómeros SMILES: C1=CC(=O)C2=C(C1=O)C(=C(C(=C2O)Cl)Cl)O
• Peso molecular: 259.04
• Beilstein: 8(4)2948
• Reaxy-Rn: 4453838
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4453838&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes
      • Subclass Naphthoquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Naphthoquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthoquinones
• Alternative Parents: 1,4-dihydroxy-2-halobenzenoids Quinones Aryl ketones Aryl chlorides Vinylogous acids Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthoquinone - 1,4-dihydroxy-2-halobenzenoid - Aryl ketone - Quinone - Aryl halide - Aryl chloride - Vinylogous acid - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthoquinones. These are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone).
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): 197-199 °C (lit.)
• Peso molecular: 259.040 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 257.949 Da
• Monoisotopic Mass: 257.949 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 334.000
• 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