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

CAS: 528-75-6 Cat. No.: D104212 Molecular Weight: 196.12 EC Number: 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

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% |

Specifications & Purity

≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504754272
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754272
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C=O
• WGK Germany: 3
• RTECS: CU5957000
• UN Number: 2811
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Chloroform (Slightly), Methanol (Slightly)
• Boil Point(°C): 190-210°C
• Melt Point(°C): 72°C
• Molecular Weight: 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

References

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]