4-tert-Butylbenzhydrazide - ≥98% , CAS No.43100-38-5

CAS: 43100-38-5 Cat. No.: T122935 Molecular Weight: 192.26 Beilstein Registry Number: 1104663 EC Number: 256-090-9 PubChem CID: 123513

GRADE & PURITY ≥98%

Synonyms

A826154 | B2886 | 4-(1,1-Dimethylethyl)benzoic acid hydrazide | p-(t-butyl)-benzhydrazide | p-tert-Butylbenzhydrazide | 4-tert-Butylbenzoic hydrazide | BBL008417 | 4-tert-butylbenzhyrazide | 4-tert-Butylbenzhydrazide | DTXSID7074747 | MFCD00014763 | 4-ter

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

application：

4-tert-Butylbenzoic hydrazide was used in the synthesis of 2-(2-methylphenyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole.

Specifications

Synonyms

A826154 | B2886 | 4-(1, 1-Dimethylethyl)benzoic acid hydrazide | p-(t-butyl)-benzhydrazide | p-tert-Butylbenzhydrazide | 4-tert-Butylbenzoic hydrazide | BBL008417 | 4-tert-butylbenzhyrazide | 4-tert-Butylbenzhydrazide | DTXSID7074747 | MFCD00014763 | 4-ter

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488187754
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187754
• Canonical Smiles: CC(C)(C)C1=CC=C(C=C1)C(=O)NN
• IUPAC Name: 4-tert-butylbenzohydrazide
• InChIKey: XYUFQWDLRLHUPB-UHFFFAOYSA-N
• INCHI: 1S/C11H16N2O/c1-11(2,3)9-6-4-8(5-7-9)10(14)13-12/h4-7H,12H2,1-3H3,(H,13,14)
• Isomeric SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NN
• WGK Germany: 3
• PubChem CID: 123513
• Molecular Weight: 192.26
• Beilstein: 1104663
• Reaxy-Rn: 1104663

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: Phenylpropanes Benzoyl derivatives Carboxylic acid hydrazides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - 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: 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

• Solubility: Soluble in Methanol
• Sensitivity: Air Sensitive
• Melt Point(°C): 130 °C
• Molecular Weight: 192.260 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 192.126 Da
• Monoisotopic Mass: 192.126 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 200.000
• 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