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Basic Description
| 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 |
|---|---|
| Specifications & Purity | ≥99% |
| Storage Temp | Room temperature |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | 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 |
| Description | 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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| IUPAC Name | 9-nitrophenanthrene |
|---|---|
| INCHI | 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 |
| InChIKey | QTTCNQHPKFAYEZ-UHFFFAOYSA-N |
| Smiles | C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)[N+](=O)[O-] |
| Isomeric SMILES | C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)[N+](=O)[O-] |
| Molecular Weight | 223.23 |
| Reaxy-Rn | 2213524 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2213524&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Refractive Index | 1.741 |
|---|---|
| Flash Point(°C) | 207.498°C |
| Boil Point(°C) | 413.279°C at 760 mmHg |
| Molecular Weight | 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 |
Citations of This Product
| 1. Jiao Sun, Min Li, Kexin Lin, Zhanbiao Liu, Zhe Wang, Wei Wang, Yinan Zhao, Yuhong Zhen, Shubiao Zhang. (2023) Delivery of quercetin for breast cancer and targeting potentiation via hyaluronic nano-micelles. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 242 (124736). |
| 2. Zhu-Rui Zhong, Hong-Liu Jiang, Na Shi, Hu-Wei Lv, Zhi-Jie Liu, Fu-An He. (2023) A novel tetrafluoroterephthalonitrile-crosslinked quercetin/chitosan adsorbent and its adsorption properties for dyes. JOURNAL OF MOLECULAR STRUCTURE, 1282 (135150). |
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