2-Nitrofloroglucinol - ≥95% , CAS No.16600-92-3

CAS: 16600-92-3 Cat. No.: N167770 Peso molecular: 171.11 Número EC: 240-656-7

GRADE & PURITY ≥95%

Synonyms

DTXSID30168061 | 1-Nitrophloroglucinol | 4O5J85GJJB | 2-Nitrophloroglucinol | 2-Nitrophloroglucinol, 95% | SCHEMBL231446 | ?2-NITROPHLOROGLUCINOL | C73206 | 1,3,5-Benzenetriol, 2-nitro- | CHEBI:8884 | UNII-G2WJL22WDV | FT-0637382 | 2-Nitro-1,3,5-benzenetr

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXSID30168061 | 1-Nitrophloroglucinol | 4O5J85GJJB | 2-Nitrophloroglucinol | 2-Nitrophloroglucinol, 95% | SCHEMBL231446 | ?2-NITROPHLOROGLUCINOL | C73206 | 1, 3, 5-Benzenetriol, 2-nitro- | CHEBI:8884 | UNII-G2WJL22WDV | FT-0637382 | 2-Nitro-1, 3, 5-benzenetr

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488186326
• Sonrisas canónicas: C1=C(C=C(C(=C1O)[N+](=O)[O-])O)O
• IUPAC Name: 2-nitrobenzene-1,3,5-triol
• InChIKey: QSVQZFVXAUGEMT-UHFFFAOYSA-N
• INCHI: 1S/C6H5NO5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,8-10H
• Isómeros SMILES: C1=C(C=C(C(=C1O)[N+](=O)[O-])O)O
• WGK Alemania: 3
• Peso molecular: 171.11
• Reaxy-Rn: 1963331
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1963331&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Nitrophenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenols
• Alternative Parents: Phloroglucinols and derivatives Nitrobenzenes Nitroaromatic compounds 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Propargyl-type 1,3-dipolar organic compounds Polyols Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenol - Benzenetriol - Nitrobenzene - Phloroglucinol derivative - Nitroaromatic compound - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Polyol - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic compound
• Descripción: 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: benzenetriol

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): 189-193 °C
• Peso molecular: 171.110 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 171.017 Da
• Monoisotopic Mass: 171.017 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 167.000
• 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