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

CAS: 613-94-5 Cat. No.: B104697 Formula: C₇H₈N₂O Molecular Weight: 136.15 Beilstein Registry Number: 471797 EC Number: 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

Room temperature,Argon charged

Shipped In

Normal

Specifications

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

Specifications & Purity

≥98%

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

488181495

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181495

Canonical Smiles

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)

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NN

WGK Germany

3

RTECS

DH1575000

UN Number

2811

Molecular Weight

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
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air & Light Sensitive
• Boil Point(°C): 267°C
• Melt Point(°C): 112.5°C
• Molecular Weight: 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