2,4-Dinitrophenylhydrazine - Reagent grade, ≥97% , CAS No.119-26-6

CAS: 119-26-6 Cat. No.: D489117 Formula: C₆H₆N₄O₄ Molecular Weight: 198.14 Beilstein Registry Number: 615586 EC Number: 204-309-3

GRADE & PURITY Reagent Grade, ≥97%

Synonyms

2,4-dinitrophenyl hydrazine | CHEBI:66932 | Dnp-hydrazine | BB 0240515 | NSC 5709 | 2,4-Dinitrophenylhydrazine, for HPLC derivatization, moistened with 35% water, >=99.0% (HPLC) | 2,4-Dinitrophenylhydrazine, p.a., 99.0% | DTXSID2059485 | NSC5709 | NSC-570

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Overview

2,4-Dinitrophenylhydrazine (DNPH), a hydrazine derivative, is a potential mutagenic agent. Its molecular and crystal structure has been analyzed. The intra- and intermolecular hydrogen bonds in DNPH have been investigated by vibrational spectroscopic analysis.The mechanism of isothermal degradation of DNPH has been studied by differential scanning calorimetry (DSC).
2,4-Dinitrophenylhydrazine has been used as a reagent to detect the presence of aldehydes and ketones in protein carbonyls. It may be used as a colorimetric reagent in the quantitative estimation of prednisone.

Specifications

Synonyms

2,4-dinitrophenyl hydrazine | CHEBI:66932 | Dnp-hydrazine | BB 0240515 | NSC 5709 | 2,4-Dinitrophenylhydrazine, for HPLC derivatization, moistened with 35% water, >=99.0% (HPLC) | 2,4-Dinitrophenylhydrazine, p.a., 99.0% | DTXSID2059485 | NSC5709 | NSC-570

Specifications & Purity

Reagent grade, ≥97%

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Grade

Reagent Grade

Purity

≥97%

Names and Identifiers

Pubchem Sid

508807724

Canonical Smiles

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN

IUPAC Name

(2,4-dinitrophenyl)hydrazine

InChIKey

HORQAOAYAYGIBM-UHFFFAOYSA-N

INCHI

1S/C6H6N4O4/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14/h1-3,8H,7H2

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN

UN Number

3380

Packing Group

I

Molecular Weight

198.14

Beilstein

615586

Reaxy-Rn

615586

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=615586&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: Nitrobenzenes
• Alternative Parents: Phenylhydrazines Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Hydrazines and derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Phenylhydrazine - 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 - Hydrazine derivative - Organic zwitterion - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: 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: a small molecule

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

Associated Targets(Human)

MPO Tchem Myeloperoxidase (1002 Activities)

Discover Target: MPO

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air and Light Sensitive
• Flash Point(°C): 14°C
• Melt Point(°C): 196～199°C
• Molecular Weight: 198.140 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 198.039 Da
• Monoisotopic Mass: 198.039 Da
• Topological Polar Surface Area: 130.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 235.000
• 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