9-Nitrophenanthrene - ≥99% , CAS No.954-46-1

CAS: 954-46-1 Cat. No.: N398237 分子式: C₁₄H₉NO₂ 分子量: 223.23

GRADE & PURITY ≥99%

Synonyms

9-Nitrophenanthrene|954-46-1|Phenanthrene, 9-nitro-|9-Nitrophenanthrene 10 microg/mL in Cyclohexane|CCRIS 3371|BRN 2213524|5-Nitro-1,10-phenathroline|9-Nitrophenanthren|9-nitro-phenanthren|9-Nitro-phenanthrene|CHEMBL165527|SCHEMBL8622947|DTXSID30241823|QT

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

9-Nitrophenanthrene | 954-46-1 | Phenanthrene, 9-nitro- | 9-Nitrophenanthrene 10 microg/mL in Cyclohexane | CCRIS 3371 | BRN 2213524 | 5-Nitro-1,10-phenathroline | 9-Nitrophenanthren | 9-nitro-phenanthren | 9-Nitro-phenanthrene | CHEMBL165527 | SCHEMBL8622947 | DTXSID30241823 | QT

仕様と純度

≥99%

保管条件

Room temperature

入荷

Normal

純度

≥99%

名前と識別子

• カノニカル・スマイル: C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)[N+](=O)[O-]
• IUPAC Name: 9-nitrophenanthrene
• InChIKey: QTTCNQHPKFAYEZ-UHFFFAOYSA-N
• INCHI: 1S/C14H9NO2/c16-15(17)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H
• 異性体SMILES: C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)[N+](=O)[O-]
• 分子量: 223.23
• Reaxy-Rn: 2213524
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2213524&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenanthrenes and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenanthrenes and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrenes and derivatives
• Alternative Parents: Nitronaphthalenes 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: Phenanthrene - 1-nitronaphthalene - 2-nitronaphthalene - Naphthalene - 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 - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
• External Descriptors: Not available

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

• 屈折率: 1.741
• 引火点（°C）: 207.498°C
• 沸点（°C）: 413.279°C at 760 mmHg
• 分子量: 223.230 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 223.063 Da
• Monoisotopic Mass: 223.063 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 299.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 954-46-1, the molecular formula is C14H9NO2, and the molecular weight is 223.23 g/mol. InChIKey QTTCNQHPKFAYEZ-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.