1-Nitroanthraquinone - ≥98% , CAS No.82-34-8

CAS: 82-34-8 Cat. No.: N159474 分子式: C₁₄H₇NO₄ 分子量: 253.21 Beilstein Registry Number: 7(3)4080 EC番号: 201-413-0

GRADE & PURITY ≥98%

Synonyms

1-Nitroanthrachinon | FT-0608151 | AKOS000593053 | NSC 12125 | 1-nitro-9,10-dihydroanthracene-9,10-dione | 9,10-Anthracenedione, 1-nitro- | W-104181 | GE4B3RL7PK | 1-Nitroanthrachinon [Czech] | 1-NITROANTHRAQUINONE | 1-Nitro-anthraquinone | AS-59441 | H10

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

1-Nitroanthrachinon | FT-0608151 | AKOS000593053 | NSC 12125 | 1-nitro-9,10-dihydroanthracene-9,10-dione | 9,10-Anthracenedione, 1-nitro- | W-104181 | GE4B3RL7PK | 1-Nitroanthrachinon [Czech] | 1-NITROANTHRAQUINONE | 1-Nitro-anthraquinone | AS-59441 | H10

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

• パブケム・シド: 488180134
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488180134
• カノニカル・スマイル: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]
• IUPAC Name: 1-nitroanthracene-9,10-dione
• InChIKey: YCANAXVBJKNANM-UHFFFAOYSA-N
• INCHI: 1S/C14H7NO4/c16-13-8-4-1-2-5-9(8)14(17)12-10(13)6-3-7-11(12)15(18)19/h1-7H
• 異性体SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]
• RTECS: CB7940000
• 分子量: 253.21
• Beilstein: 7(3)4080
• Reaxy-Rn: 1884185
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1884185&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: Nitronaphthalenes Nitroaromatic compounds Aryl ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 9,10-anthraquinone - Anthraquinone - 1-nitronaphthalene - Nitroaromatic compound - Aryl ketone - Ketone - 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 nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
• 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

化学的性質と物理的性質

• 溶解度: Insoluble in water; Soluble in Ethanol,Ether
• 融点（°C）: 230.0 to 234.0 °C
• 分子量: 253.210 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 253.038 Da
• Monoisotopic Mass: 253.038 Da
• Topological Polar Surface Area: 80.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 428.000
• 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

参考文献

1. Jiyuan Liu, Ruichi Li, Tong Zhou, Shichang Cheng, Chaoxia Li, Xuan Ye, Yue Li, Zhen Tian.  (2020)  Structural evidence for pheromone discrimination by the pheromone binding protein 3 from Plutella xylostella.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:33352161] [10.1016/j.ijbiomac.2020.12.119]

よくある質問

What is the purity of this product?

This product is supplied at ≥98% 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 82-34-8, the molecular formula is C14H7NO4, and the molecular weight is 253.21 g/mol. InChIKey YCANAXVBJKNANM-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.