2,4-Dinitrobenzaldehyde - ≥97% , CAS No.528-75-6

CAS: 528-75-6 Cat. No.: D104212 分子式: C₇H₄N₂O₅ 分子量: 196.12 EC番号: 208-440-7

GRADE & PURITY ≥97%

Synonyms

FT-0610200 | 2,4-Dinitrobenzaldehyde | 2,4-dinitro-benzaldehyde | Benzaldehyde,4-dinitro- | AKOS000279812 | 3-07-00-00923 (Beilstein Handbook Reference) | SCHEMBL203753 | SY003946 | AS-15439 | F2191-0146 | UNII-ZAC919YU3Z | 2,4-Dinitrobenzaldehyde, 97% |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

FT-0610200 | 2,4-Dinitrobenzaldehyde | 2,4-dinitro-benzaldehyde | Benzaldehyde,4-dinitro- | AKOS000279812 | 3-07-00-00923 (Beilstein Handbook Reference) | SCHEMBL203753 | SY003946 | AS-15439 | F2191-0146 | UNII-ZAC919YU3Z | 2,4-Dinitrobenzaldehyde, 97% |

仕様と純度

≥97%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

• パブケム・シド: 504754272
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504754272
• カノニカル・スマイル: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C=O
• IUPAC Name: 2,4-dinitrobenzaldehyde
• InChIKey: ZILXIZUBLXVYPI-UHFFFAOYSA-N
• INCHI: 1S/C7H4N2O5/c10-4-5-1-2-6(8(11)12)3-7(5)9(13)14/h1-4H
• 異性体SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C=O
• WGKドイツ: 3
• RTECS: CU5957000
• UN番号: 2811
• 分子量: 196.12
• Reaxy-Rn: 1878706
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1878706&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzaldehydes
• Alternative Parents: Nitroaromatic compounds Benzoyl derivatives Benzaldehydes Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzaldehyde - Benzaldehyde - Nitroaromatic compound - Benzoyl - Aryl-aldehyde - 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 - Organic oxide - Organooxygen compound - Organonitrogen compound - Aldehyde - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as nitrobenzaldehydes. These are nitrobenzenes that carry an aldehyde group at any position of the benzene ring.
• 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: Chloroform (Slightly), Methanol (Slightly)
• 沸点（°C）: 190-210°C
• 融点（°C）: 72°C
• 分子量: 196.120 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 196.012 Da
• Monoisotopic Mass: 196.012 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 256.000
• 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. Hong Tu, Bihong Tian, Zhichao Zhao, Renjiang Guo, Ya Wang, Shunhong Chen, Jian Wu.  (2025)  Research on the influence of g-C3N4 microstructure changes on the efficiency of visible light photocatalytic degradation.  Water Research X,      [PMID:40028192] [10.1016/j.wroa.2025.100315]

2. Yangsheng Yu, Yijing Wang, Xuening Zhang, Dawei Yang, Bangming Cao.  (2025)  Protective effects of polysaccharide-integrated nano-formulated berberine on cardiomyocytes under Ischemic conditions.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2025.144692]

よくある質問

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 528-75-6, the molecular formula is C7H4N2O5, and the molecular weight is 196.12 g/mol. InChIKey ZILXIZUBLXVYPI-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.