2-Nitrobenzhydrazide - ≥98%(T) , CAS No.606-26-8

CAS: 606-26-8 Cat. No.: N159414 Formula: C₇H₇N₃O₃ Molecular Weight: 181.15 Beilstein Registry Number: 9(2)246 EC Number: 210-110-2

GRADE & PURITY ≥98%(T)

Synonyms

AE-641/02473018 | Benzoic acid, o-nitro-, hydrazide | EINECS 210-110-2 | UNII-HAW3U8B8S3 | 2-Nitrobenzohydrazide | Benzhydrazide, 2-nitro- | AKOS000142847 | 2-Nitrobenzoic acid hydrazide | EN300-36749 | STK049461 | 2-Nitrobenzhydrazide | MFCD00007598 | DT

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

The reaction of 2,3-dichloro-1,4-naphthoquinone with p-nitrobenzhydrazide yeilds the disubstituted product bis-(p-nitrobenzhydrazino)-1,4-napthtquinone.

Specifications

Synonyms

AE-641/02473018 | Benzoic acid, o-nitro-, hydrazide | EINECS 210-110-2 | UNII-HAW3U8B8S3 | 2-Nitrobenzohydrazide | Benzhydrazide, 2-nitro- | AKOS000142847 | 2-Nitrobenzoic acid hydrazide | EN300-36749 | STK049461 | 2-Nitrobenzhydrazide | MFCD00007598 | DT

Specifications & Purity

≥98%(T)

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Pubchem Sid: 488194565
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194565
• Canonical Smiles: C1=CC=C(C(=C1)C(=O)NN)[N+](=O)[O-]
• IUPAC Name: 2-nitrobenzohydrazide
• InChIKey: LYGGDXLOJMNFBV-UHFFFAOYSA-N
• INCHI: 1S/C7H7N3O3/c8-9-7(11)5-3-1-2-4-6(5)10(12)13/h1-4H,8H2,(H,9,11)
• Isomeric SMILES: C1=CC=C(C(=C1)C(=O)NN)[N+](=O)[O-]
• Molecular Weight: 181.15
• Beilstein: 9(2)246
• Reaxy-Rn: 394754
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=394754&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: Benzoic acids and derivatives Nitroaromatic compounds Benzoyl derivatives Carboxylic acid hydrazides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Carboxylic acid hydrazide - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic salt - Organic oxygen compound - 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

Associated Targets(Human)

CTSD Tchem Cathepsin D (1 Activities)

Discover Target: CTSD

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CTSD Tchem Cathepsin D (3201 Activities)

Discover Target: CTSD

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

Associated Targets(non-human)

PMII Plasmepsin 2 (774 Activities)

Discover Target: PMII

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in methanol(almost transparency).
• Sensitivity: Air sensitive
• Melt Point(°C): 119.0 - 123.0 °C
• Molecular Weight: 181.150 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 181.049 Da
• Monoisotopic Mass: 181.049 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 214.000
• 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

Frequently Asked Questions

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 606-26-8, the molecular formula is C7H7N3O3, and the molecular weight is 181.15 g/mol. InChIKey LYGGDXLOJMNFBV-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.