2,3-Dinitrophenol - ≥95% , CAS No.66-56-8

CAS: 66-56-8 Cat. No.: D475974 分子式: C₆H₄N₂O₅ 分子量: 184.11 EC番号: 200-628-7

GRADE & PURITY ≥95%

Synonyms

2,3-Dinitrofenol [Czech] | AC-24718 | Q19949845 | 4-06-00-01369 (Beilstein Handbook Reference) | AKOS015912555 | BRN 2213580 | 2,3-Dinitrophenol, moistened with water, >=98.0% (HPLC) | NSC156083 | NSC-156083 | 2,3-Dinitrofenol | NSC 156083 | MHKBMNACOMRIA

Storage

Protected from light,Room temperature

Shipped In

Normal

概要

Description

2,3-Dinitrophenol is a nitroaromatic compound. It has been reported to exhibit high acute toxicity toScenedesmus obliquus, with EC50value of 2.5±0.8.2,3-Dinitrophenol may be employed as nitrogen supplement for the bacterial culture medium.

Specifications

同義語

2,3-Dinitrofenol [Czech] | AC-24718 | Q19949845 | 4-06-00-01369 (Beilstein Handbook Reference) | AKOS015912555 | BRN 2213580 | 2,3-Dinitrophenol, moistened with water, >=98.0% (HPLC) | NSC156083 | NSC-156083 | 2,3-Dinitrofenol | NSC 156083 | MHKBMNACOMRIA

仕様と純度

≥95%

保管条件

Protected from light,Room temperature

入荷

Normal

純度

≥95%

名前と識別子

• パブケム・シド: 488180016
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488180016
• カノニカル・スマイル: C1=CC(=C(C(=C1)O)[N+](=O)[O-])[N+](=O)[O-]
• IUPAC Name: 2,3-dinitrophenol
• InChIKey: MHKBMNACOMRIAW-UHFFFAOYSA-N
• INCHI: 1S/C6H4N2O5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H
• 異性体SMILES: C1=CC(=C(C(=C1)O)[N+](=O)[O-])[N+](=O)[O-]
• WGKドイツ: 3
• RTECS: SL2700000
• 分子量: 184.11
• Reaxy-Rn: 2213580
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2213580&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenols
• Subclass: Nitrophenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Dinitrophenols
• Alternative Parents: Nitrobenzenes Nitroaromatic compounds 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Dinitrophenol - Nitrobenzene - Nitroaromatic compound - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as dinitrophenols. These are organic aromatic compounds containing a benzene that carries a single phenol group and exactly two nitro groups.
• External Descriptors: dinitrophenol

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

作用メカニズム

化学的性質と物理的性質

• 感度: Heat and light sensitive
• 融点（°C）: 141-145 °C
• 分子量: 184.110 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 184.012 Da
• Monoisotopic Mass: 184.012 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 220.000
• 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