1,3-Dinitronaphthalene - ≥97% , CAS No.606-37-1

CAS: 606-37-1 Cat. No.: D469433 Summenformel: C₁₀H₆(NO₂)₂ Molekulargewicht: 218.17 EG-Nummer: 210-116-5

GRADE & PURITY ≥97%

Synonyms

ULALSFRIGPMWRS-UHFFFAOYSA-N | AKOS016009682 | ULALSFRIGPMWRS-UHFFFAOYSA- | AS-18939 | UNII-D55U333CQS | NCGC00091210-02 | Q27122160 | CCRIS 6027 | NSC74478 | NCGC00091210-01 | 1,3-Dinitronaphthalene, 97% | BRN 1976375 | FT-0632522 | AMY848 | DTXSID9025164

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Übersicht

Description

1,3-Dinitronaphthalene was used to study the photocatalytic oxidation reaction of 1,3-dinitronaphthalene in the presence of TiO(2) Degussa (P-25 grade).

Specifications

Synonyme

ULALSFRIGPMWRS-UHFFFAOYSA-N | AKOS016009682 | ULALSFRIGPMWRS-UHFFFAOYSA- | AS-18939 | UNII-D55U333CQS | NCGC00091210-02 | Q27122160 | CCRIS 6027 | NSC74478 | NCGC00091210-01 | 1,3-Dinitronaphthalene, 97% | BRN 1976375 | FT-0632522 | AMY848 | DTXSID9025164

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Desiccated

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: C1=CC=C2C(=C1)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-]
• IUPAC Name: 1,3-dinitronaphthalene
• InChIKey: ULALSFRIGPMWRS-UHFFFAOYSA-N
• INCHI: 1S/C10H6N2O4/c13-11(14)8-5-7-3-1-2-4-9(7)10(6-8)12(15)16/h1-6H
• Isomere SMILES: C1=CC=C2C(=C1)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-]
• WGK Deutschland: 3
• RTECS: QJ4550800
• Molekulargewicht: 218.17
• Reaxy-Rn: 1976375
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1976375&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Naphthalenes
      • Subclass Nitronaphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Naphthalenes
• Subclass: Nitronaphthalenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitronaphthalenes
• 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 homopolycyclic compounds
• Substituents: 1-nitronaphthalene - 2-nitronaphthalene - Nitroaromatic compound - 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 - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as nitronaphthalenes. These are polycyclic aromatic compounds containing a naphthalene moiety substituted by one or more nitro groups.
• External Descriptors: dinitronaphthalene

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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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 146-148 °C (lit.)
• Molekulargewicht: 218.170 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 218.033 Da
• Monoisotopic Mass: 218.033 Da
• Topological Polar Surface Area: 91.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 296.000
• 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