1,4-Dinitrobenzene - analytical standard, for environmental analysis, ≥99.9% , CAS No.100-25-4

CAS: 100-25-4 Cat. No.: D100641 Summenformel: C₆H₄N₂O₄ Molekulargewicht: 168.11 Beilstein Registry Number: 1105828 EG-Nummer: 202-833-7

GRADE & PURITY Analytical standard, for Environmental analysis, ≥99.9%

Synonyms

1,4-Dinitrobenzene|100-25-4|P-DINITROBENZENE|Benzene, 1,4-dinitro-|Benzene, p-dinitro-|Dithane A-4|Dinitrobenzene, p-|para-Dinitrobenzene|1,4-Dinitro-benzene|DTXSID0021836|CHEBI:51398|NSC-3809|784Q9O56S9|Dinitrobenzene, para-|1,4-Dinitrobenzene, analytica

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyme

1,4-Dinitrobenzene | 100-25-4 | P-DINITROBENZENE | Benzene, 1,4-dinitro- | Benzene, p-dinitro- | Dithane A-4 | Dinitrobenzene, p- | para-Dinitrobenzene | 1,4-Dinitro-benzene | DTXSID0021836 | CHEBI:51398 | NSC-3809 | 784Q9O56S9 | Dinitrobenzene, para- | 1,4-Dinitrobenzene, analytica

Spezifikationen & Reinheit

analytical standard, for environmental analysis, ≥99.9%

Storage

Room temperature

Verschickt in

FedEx DG Service

Note

Analytischer Standard, für die Umweltanalyse

Reinheit

≥99.9%

Namen und Kennungen

Pubchem Sid

504751361

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751361

Kanonisches Lächeln

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

IUPAC Name

1,4-dinitrobenzene

InChIKey

FYFDQJRXFWGIBS-UHFFFAOYSA-N

INCHI

1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H

Isomere SMILES

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

WGK Deutschland

3

RTECS

CZ7525000

UN-Nummer

3443

Verpackungsgruppe

II

Molekulargewicht

168.11

Beilstein

1105828

Reaxy-Rn

1105828

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1105828&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
• External Descriptors: dinitrobenzene

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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RXRA Tclin Retinoid X receptor alpha (3637 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Slightly soluble in water, soluble in ethanol, ether, benzene, etc.
• Flammpunkt (°F): 150℃
• Flammpunkt (°C): 150℃
• Siedepunkt (°C): 299°C
• Schmelzpunkt (°C): 174°C
• Molekulargewicht: 168.110 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 168.017 Da
• Monoisotopic Mass: 168.017 Da
• Topological Polar Surface Area: 91.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 165.000
• 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