Benzoilhidrazina - ≥98% , CAS No.613-94-5

CAS: 613-94-5 Cat. No.: B104697 Peso molecular: 136.15 Beilstein Registry Number: 471797 Número EC: 210-363-9

GRADE & PURITY ≥98%

Synonyms

BENZHYDRAZIDE | Benzoyl hydrazide | HMS1760B05 | NCGC00258432-01 | BENZOHYDRAZIDE [USP IMPURITY] | SCHEMBL13456686 | SCHEMBL83514 | STK027207 | Benzoic hydrazide | Benzoyl hydrazine | CHEBI:38454 | N-benzoyl hydrazine | Benzhydrazide, 98% | Hydrazine, ben

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

BENZHYDRAZIDE | Benzoyl hydrazide | HMS1760B05 | NCGC00258432-01 | BENZOHYDRAZIDE [USP IMPURITY] | SCHEMBL13456686 | SCHEMBL83514 | STK027207 | Benzoic hydrazide | Benzoyl hydrazine | CHEBI:38454 | N-benzoyl hydrazine | Benzhydrazide, 98% | Hydrazine, ben

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488181495
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181495
• Sonrisas canónicas: C1=CC=C(C=C1)C(=O)NN
• IUPAC Name: benzohydrazide
• InChIKey: WARCRYXKINZHGQ-UHFFFAOYSA-N
• INCHI: 1S/C7H8N2O/c8-9-7(10)6-4-2-1-3-5-6/h1-5H,8H2,(H,9,10)
• Isómeros SMILES: C1=CC=C(C=C1)C(=O)NN
• WGK Alemania: 3
• RTECS: DH1575000
• Número ONU: 2811
• Peso molecular: 136.15
• Beilstein: 471797
• Reaxy-Rn: 471797
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471797&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids and derivatives
• Alternative Parents: Benzoyl derivatives Carboxylic acid hydrazides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid or derivatives - Benzoyl - Carboxylic acid hydrazide - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
• External Descriptors: carbohydrazide

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air & Light Sensitive
• Punto de ebullición (°C): 267°C
• Punto de fusión (°C): 112.5°C
• Peso molecular: 136.150 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 136.064 Da
• Monoisotopic Mass: 136.064 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 119.000
• 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

Referencias

1. Yun Li, Yueqin Li, Nana Wang, Dong Lin, Xiaohui Liu, Yong Yang, Qinwei Gao.  (2019)  Synthesis, DNA/BSA binding studies and in vitro biological assay of nickel(II) complexes incorporating tridentate aroylhydrazone and triphenylphosphine ligands.  JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS,      [PMID:31739745] [10.1080/07391102.2019.1694995]

2. Xueying Yu, Kangnan Wang, Duxia Cao, Zhiqiang Liu, Ruifang Guan, Qianqian Wu, Yongxiao Xu, Yatong Sun, Xun Zhao.  (2017)  A diethylamino pyridine formyl Schiff base as selective recognition chemosensor for biological thiols.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2017.04.147]

3. Yong Song, Zhiyuan Jin, Jiawei Zhang, Bo Jin, Rufang Peng.  (2024)  Continuous, Solvent-Free, and Mechanochemical Synthesis of N-Acylhydrazone Derivatives by Spiral Gas–Solid Two-Phase Flow.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.3c05316]

4. Jianhang Qi, Jiale Liu, Yongming Ma, Yanjie Cheng, Kai Chen, Wenjing Hu, Junwei Xiang, Xiaoru Wang, Jianwei Zhao, Yang Zhou, Anyi Mei, Hongwei Han.  (2024)  Modulating Dual Functionalities of Hydrazide Derivatives for Iodide Oxidation Suppression and Defect Passivation in Printable Mesoscopic Perovskite Solar Cells.  Advanced Energy Materials,      [PMID:] [10.1002/aenm.202402344]

5. Jinbo Ouyang, Longping Jiang, Jiayao Li, Feiqiang He, Zhi Gao, Mengmeng Wang, Limin Zhou, Zongbo Xie, Zhiqiang Zhu, Yifu Chen.  (2025)  Light-Driven Crystal Actuation of Fluorinated Acylhydrazones Enabled by [2+2] Photocycloaddition.  CHEMISTRY-A EUROPEAN JOURNAL,      [PMID:40626992] [10.1002/chem.202501777]