5-Nitroacenaphthene - ≥85% , CAS No.602-87-9

CAS: 602-87-9 Cat. No.: N113320 Formula: C₁₂H₉NO₂ Peso molecolare: 199.21 Beilstein Registry Number: 5(4)1840 Numero EC: 210-025-0

GRADE & PURITY ≥85%

Synonyms

DTXSID3020960 | NCI-C01967 | 5-Nitroacenaphthene, 85% | 5-Nan | 5-NITROACENAPHTHENE | 5-Nitro-acenaphthene | Acenaphthene, 5-nitro- | VS-12631 | 1,2-Dihydro-5-nitroacenaphthylene | 5-NITROACENAPHTHENE [IARC] | AC-4959 | 5-NITROACENAPHTHENE (CONTAINS 3-NIT

Storage

Room temperature

Shipped In

FedEx DG Service

Panoramica

A polycyclic aromatic hydrocarbon commonly used as an intermediate.
A polyaromatic organic compound.

Specifications

Sinonimi

DTXSID3020960 | NCI-C01967 | 5-Nitroacenaphthene, 85% | 5-Nan | 5-NITROACENAPHTHENE | 5-Nitro-acenaphthene | Acenaphthene, 5-nitro- | VS-12631 | 1,2-Dihydro-5-nitroacenaphthylene | 5-NITROACENAPHTHENE [IARC] | AC-4959 | 5-NITROACENAPHTHENE (CONTAINS 3-NIT

Specifiche e purezza

≥85%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

FedEx DG Service

Purezza

≥85%

Nomi e identificatori

• Pubchem Sid: 488181426
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181426
• Sorrisi canonici: C1CC2=CC=C(C3=CC=CC1=C23)[N+](=O)[O-]
• IUPAC Name: 5-nitro-1,2-dihydroacenaphthylene
• InChIKey: CUARLQDWYSRQDF-UHFFFAOYSA-N
• INCHI: 1S/C12H9NO2/c14-13(15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2
• Isomeri SMILES: C1CC2=CC=C(C3=CC=CC1=C23)[N+](=O)[O-]
• WGK Germania: 3
• RTECS: AB1060000
• Numero UN: 2811
• Gruppo di imballaggio: I
• Peso molecolare: 199.21
• Beilstein: 5(4)1840
• Reaxy-Rn: 1876864
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1876864&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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 - 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 homopolycyclic compound
• Descrizione: 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: nitronaphthalene

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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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in water (0.91 mg/l at 25 °C), ethanol, ethyl ether, and ligroin.
• Punto di fusione (°C): 101.5-102.5°C
• Peso molecolare: 199.200 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 199.063 Da
• Monoisotopic Mass: 199.063 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 273.000
• 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

Riferimenti

1. Qingwen Tao, Pu Ma, Beining Chen, Xiaolei Qu, Heyun Fu.  (2024)  Hierarchically spherical assembly of carbon nanorods derived from metal-organic framework as solid-phase microextraction coating for nitrated polycyclic aromatic hydrocarbon analysis.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:39255650] [10.1016/j.chroma.2024.465352]

Domande frequenti

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥85% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 602-87-9, the molecular formula is C12H9NO2, and the molecular weight is 199.21 g/mol. InChIKey CUARLQDWYSRQDF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.