3-Nitrophenylhydrazine hydrochloride - ≥98% , CAS No.636-95-3

CAS: 636-95-3 Cat. No.: N113596 Molecular Weight: 189.6 Beilstein Registry Number: 15460 EC Number: 211-270-6

GRADE & PURITY ≥98%

Synonyms

3-Nitrophenylhydrazinium(1+) chloride | BKOYKMLGFFASBG-UHFFFAOYSA-N | (3-nitrophenyl)hydrazinehydrochloride | CED53533 | FT-0616259 | N0232 | EINECS 211-270-6 | (3-Nitro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)hydrazine, hydrochloride | Hydrazine, (3-

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

3-Nitrophenylhydrazine (3-NPH) is a derivatizing reagent used for the derivatization of carboxyl- and carbonyl-containing metabolites. This compound is also used as a high-efficiency chemical isotope-labeling reagent. Additionally, 3-nitrophenylhydrazine undergoes a condensation reaction with substituted benzaldehydes resulting in the formation of a series of ten substituted (E)-1-benzylidene-2-(3-nitrophenyl) hydrazine compounds.

Specifications

Synonyms

3-Nitrophenylhydrazinium(1+) chloride | BKOYKMLGFFASBG-UHFFFAOYSA-N | (3-nitrophenyl)hydrazinehydrochloride | CED53533 | FT-0616259 | N0232 | EINECS 211-270-6 | (3-Nitro(1, 2, 3, 4, 5, 6-13C6)cyclohexa-1, 3, 5-trien-1-yl)hydrazine, hydrochloride | Hydrazine, (3-

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488195568
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195568
• Canonical Smiles: C1=CC(=CC(=C1)[N+](=O)[O-])NN.Cl
• IUPAC Name: (3-nitrophenyl)hydrazine;hydrochloride
• InChIKey: BKOYKMLGFFASBG-UHFFFAOYSA-N
• INCHI: 1S/C6H7N3O2.ClH/c7-8-5-2-1-3-6(4-5)9(10)11;/h1-4,8H,7H2;1H
• Isomeric SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])NN.Cl
• WGK Germany: 3
• UN Number: 1325
• Molecular Weight: 189.6
• Beilstein: 15460
• Reaxy-Rn: 3569013
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3569013&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 Organic zwitterions Organic oxides Hydrochlorides 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 - Organic nitrogen compound - Hydrazine derivative - Organic zwitterion - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organic salt - Hydrochloride - 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: 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

• Sensitivity: Air & Moisture Sensitive
• Melt Point(°C): 206-210°C
• Molecular Weight: 189.600 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 189.031 Da
• Monoisotopic Mass: 189.031 Da
• Topological Polar Surface Area: 83.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 145.000
• 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: 2

XLogP3

References

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2. Wang Yanbo, Xie Qiuhong, Sun Sheng, Huang Baojia, Zhang Ying, Xu Yun, Zhang Shumin, Xiang Hongyu.  (2018)  Probiotics-fermented Massa Medicata Fermentata ameliorates weaning stress in piglets related to improving intestinal homeostasis.  APPLIED MICROBIOLOGY AND BIOTECHNOLOGY,  102  (24): (10713-10727).  [PMID:30397767] [10.1007/s00253-018-9438-y]

3. Ying-Ying Jin, Zi-Qi Shi, Wen-Qi Chang, Lin-Xiu Guo, Jian-Liang Zhou, Jian-Qun Liu, Li-Fang Liu, Gui-Zhong Xin.  (2018)  A chemical derivatization based UHPLC-LTQ-Orbitrap mass spectrometry method for accurate quantification of short-chain fatty acids in bronchoalveolar lavage fluid of asthma mice.  JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,      [PMID:30199808] [10.1016/j.jpba.2018.08.057]

4. Cheng Zeng, Zhichao Tan, Youcai Zhao, Tao Zhou.  (2026)  Integrating Large Language Models and Machine Learning for Sustainable Electrochemical Upgrading of Biomass-Derived 5-hydroxymethylfurfural to 2,5-bis(hydroxymethyl)furan.  PROCESS SAFETY AND ENVIRONMENTAL PROTECTION,      [PMID:] [10.1016/j.psep.2026.108476]