Valeraldehyde 2,4-Dinitrophenylhydrazone - ≥98%(T) , CAS No.2057-84-3

CAS: 2057-84-3 Cat. No.: V162961 Fórmula: C₁₁H₁₄N₄O₄ Peso molecular: 266.26 Número CE: 625-037-5 PubChem CID: 9601271

GRADE & PURITY ≥98%(T)

Synonyms

Valeraldehyde-2,4-DNPH | (E)-1-(2,4-dinitrophenyl)-2-pentylidenehydrazine | MFCD00191595 | XGVOZGLOQUHZBZ-KPKJPENVSA-N | n-Valeraldehyde 2,4-dinitrphenylhydrazone | Pentanal, (2,4-dinitrophenyl)hydrazone | Valeraldehyde-2,4-dinitrophenylhydrazone, environ

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Valeraldehyde-2,4-DNPH | (E)-1-(2,4-dinitrophenyl)-2-pentylidenehydrazine | MFCD00191595 | XGVOZGLOQUHZBZ-KPKJPENVSA-N | n-Valeraldehyde 2,4-dinitrphenylhydrazone | Pentanal, (2,4-dinitrophenyl)hydrazone | Valeraldehyde-2,4-dinitrophenylhydrazone, environ

Especificações e pureza

≥98%(T)

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥98%(T)

Nomes e identificadores

• Pubchem Sid: 508813550
• Sorrisos canónicos: CCCCC=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
• IUPAC Name: 2,4-dinitro-N-[(E)-pentylideneamino]aniline
• InChIKey: XGVOZGLOQUHZBZ-KPKJPENVSA-N
• INCHI: 1S/C11H14N4O4/c1-2-3-4-7-12-13-10-6-5-9(14(16)17)8-11(10)15(18)19/h5-8,13H,2-4H2,1H3/b12-7+
• SMILES isoméricas: CCCC/C=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
• PubChem CID: 9601271
• Peso molecular: 266.26

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Phenylhydrazines Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrazones Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Phenylhydrazine - C-nitro compound - Organic nitro compound - Hydrazone - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic zwitterion - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
• 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

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive.
• Ponto de fusão (°C): 108.0-111.0 °C
• Peso molecular: 266.250 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 266.102 Da
• Monoisotopic Mass: 266.102 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 337.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Referências

1. Mantong Zhao, Zhongyuan Liu, Mengyin Zha, Ying Sun, Haohao Shi, Xueying Zhang, Chuan Li, Guanghua Xia.  (2025)  Investigation of the dose and structure effects of lipid oxidation products aldehydes on the generation of heterocyclic amines: A case study of 2-amino-1-methyl-6-phenylimidazo [4,5-b] pyridine (PhIP).  Food Chemistry-X,      [PMID:39974535] [10.1016/j.fochx.2025.102244]

2. Chao Li, Han Zhao, Jingjing Wang, Chenfei Liu, Shiqing He, Jingchao Zhou, Liangyu Li, Yiyao Liu, Qingping Wang, Xiaojing Shen, Junjie Wu, Guangquan Chen, Yu Wang, Liang Yang, Bin Du.  (2026)  A tumor-resident bacterium promotes cervical cancer progression through lysoPC-mediated c-Jun/c-Fos activation.  Cell Reports,  45  (3):   [PMID:41790554] [10.1016/j.celrep.2026.117079]

3. Yuqi Xie, Yingying Zhang, Wenxi Qi, Yi Zhang, Guangyang Zhou, Dengyong Liu.  (2026)  Characterization of key aroma-active components in roast mutton: Integration of GC-IMS, GC–MS, and aroma recombination.  Food Chemistry-X,      [PMID:42093965] [10.1016/j.fochx.2026.103893]