2-Nitrobenzene-1,4-diol - ≥95% , CAS No.16090-33-8

CAS: 16090-33-8 Cat. No.: N587489 Formula: C₆H₅NO₄ Peso molecolare: 155.11

QUALITÀ & PUREZZA ≥95%

Synonyms

nitrohydroquinone | NSC 138350 | SCHEMBL69947 | 1,4-Benzenediol, 2-nitro- | DTXSID10167037 | 2-nitrobenzene-1,4-diol | VIIYYMZOGKODQG-UHFFFAOYSA-N | 2,5-dihydroxynitrobenzene | 2-nitro-1,4-benzenediol | nitrohydrochinon | NSC138350 | 2-Nitrohydroquinone |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifiche

Sinonimi

nitrohydroquinone | NSC 138350 | SCHEMBL69947 | 1,4-Benzenediol, 2-nitro- | DTXSID10167037 | 2-nitrobenzene-1,4-diol | VIIYYMZOGKODQG-UHFFFAOYSA-N | 2,5-dihydroxynitrobenzene | 2-nitro-1,4-benzenediol | nitrohydrochinon | NSC138350 | 2-Nitrohydroquinone |

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

528757487

Sorrisi canonici

C1=CC(=C(C=C1O)[N+](=O)[O-])O

IUPAC Name

2-nitrobenzene-1,4-diol

InChIKey

VIIYYMZOGKODQG-UHFFFAOYSA-N

INCHI

1S/C6H5NO4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H

Isomeri SMILES

C1=CC(=C(C=C1O)[N+](=O)[O-])O

Peso molecolare

155.11

Reaxy-Rn

640209

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=640209&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Nitrophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Nitrophenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenols
• Alternative Parents: Nitrobenzenes Nitroaromatic compounds Hydroquinones 1-hydroxy-2-unsubstituted benzenoids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenol - Nitrobenzene - Nitroaromatic compound - Hydroquinone - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic cation - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.
• 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

Obiettivi associati (umani)

XDH Tclin Xanthine dehydrogenase (1038 Activities)

Discover Target: XDH

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 155.110 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 155.022 Da
• Monoisotopic Mass: 155.022 Da
• Topological Polar Surface Area: 86.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 155.000
• 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