3-Nitrobenzhydrazide - ≥98%(T) , CAS No.618-94-0

CAS: 618-94-0 Cat. No.: N159105 Summenformel: C₇H₇N₃O₃ Molekulargewicht: 181.15 Beilstein Registry Number: 9(2)256 EG-Nummer: 210-572-5

GRADE & PURITY ≥98%(T)

Synonyms

m-Nitrobenzhydrazide | meta-nitrobenzhydrazide | Z56922145 | F52345 | AB01319733-02 | NSC3558 | NSC-3558 | EN300-17362 | NSC 3558 | NSC 178021 | SY076512 | BB 0240536 | AKOS016034598 | 3-nitro-benzenecarbohyrazide | N0147 | F0191-0160 | m-Nitrobenzhydrazi

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

m-Nitrobenzhydrazide | meta-nitrobenzhydrazide | Z56922145 | F52345 | AB01319733-02 | NSC3558 | NSC-3558 | EN300-17362 | NSC 3558 | NSC 178021 | SY076512 | BB 0240536 | AKOS016034598 | 3-nitro-benzenecarbohyrazide | N0147 | F0191-0160 | m-Nitrobenzhydrazi

Spezifikationen & Reinheit

≥98%(T)

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%(T)

Namen und Kennungen

• Pubchem Sid: 488194348
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194348
• Kanonisches Lächeln: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NN
• IUPAC Name: 3-nitrobenzohydrazide
• InChIKey: NQEWXLVDAVTOHM-UHFFFAOYSA-N
• INCHI: 1S/C7H7N3O3/c8-9-7(11)5-2-1-3-6(4-5)10(12)13/h1-4H,8H2,(H,9,11)
• Isomere SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NN
• Molekulargewicht: 181.15
• Beilstein: 9(2)256
• Reaxy-Rn: 645512
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=645512&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air sensitive
• Schmelzpunkt (°C): 155 °C
• Molekulargewicht: 181.150 g/mol
• XLogP3: 0.200
• 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

Referenzen

1. Yueling Cao, Kangkai Liu, Chen Wu, Hepeng Zhang, Qiuyu Zhang.  (2020)  In situ-formed cobalt embedded into N-doped carbon as highly efficient and selective catalysts for the hydrogenation of halogenated nitrobenzenes under mild conditions.  APPLIED CATALYSIS A-GENERAL,      [PMID:] [10.1016/j.apcata.2020.117434]

2. Qianxi Wang, Yuyu Dai, Xueli Hong, Yunyang Hong, Rui Zhang, Xinhuan Yan.  (2024)  Facile preparation of Co/C catalysts encapsulated in carbon and selective hydrogenation in nitroaromatic hydrocarbons.  NEW JOURNAL OF CHEMISTRY,  48  (17): (7639-7645).  [PMID:] [10.1039/D4NJ00858H]

3. Mingyuan Jian, Kecan Dou, Deqiong Xie, Gaomei Tu, Weidong Zhu, Fumin Zhang.  (2024)  Synthesis of MXene supported Co nanoparticle catalyst for efficient catalytic transfer hydrogenation of nitro compounds with formic acid.  NEW JOURNAL OF CHEMISTRY,      [PMID:] [10.1039/D3NJ05864F]

Häufig gestellte Fragen

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 618-94-0, the molecular formula is C7H7N3O3, and the molecular weight is 181.15 g/mol. InChIKey NQEWXLVDAVTOHM-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.