3,3'-Dinitrobenzophenone - ≥98% , CAS No.21222-05-9

CAS: 21222-05-9 Cat. No.: D154642 分子式: C₁₃H₈N₂O₅ 分子量: 272.22 Beilstein Registry Number: 7(1)231 EC番号: 626-551-2

GRADE & PURITY ≥98%

Synonyms

BENZOPHENONE,3,3'-DINITRO | Methanone, bis(3-nitrophenyl)- | AKOS015889371 | Bis(3-nitrophenyl)methanone # | DTXSID50175459 | NSC 86515 | (5-bromo-2-pyridyl)hydrazine | 3,3'-Dinitrobenzophenone | AS-59117 | Bis(3-nitrophenyl)methanone | FT-0614086 | 3,3//

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

BENZOPHENONE,3,3'-DINITRO | Methanone, bis(3-nitrophenyl)- | AKOS015889371 | Bis(3-nitrophenyl)methanone # | DTXSID50175459 | NSC 86515 | (5-bromo-2-pyridyl)hydrazine | 3,3'-Dinitrobenzophenone | AS-59117 | Bis(3-nitrophenyl)methanone | FT-0614086 | 3,3//

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

• カノニカル・スマイル: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=CC(=CC=C2)[N+](=O)[O-]
• IUPAC Name: bis(3-nitrophenyl)methanone
• InChIKey: BSDKBWGNIJMCID-UHFFFAOYSA-N
• INCHI: 1S/C13H8N2O5/c16-13(9-3-1-5-11(7-9)14(17)18)10-4-2-6-12(8-10)15(19)20/h1-8H
• 異性体SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=CC(=CC=C2)[N+](=O)[O-]
• 分子量: 272.22
• Beilstein: 7(1)231
• Reaxy-Rn: 1888002
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1888002&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl ketone - Ketone - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

• 融点（°C）: 156 °C
• 分子量: 272.210 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 272.043 Da
• Monoisotopic Mass: 272.043 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 365.000
• 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 ≥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 21222-05-9, the molecular formula is C13H8N2O5, and the molecular weight is 272.22 g/mol. InChIKey BSDKBWGNIJMCID-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.