ethyl 4-hydrazinobenzoate;hydrochloride - ≥97% , CAS No.40566-85-6

CAS: 40566-85-6 Cat. No.: E633823 Fórmula: C₉H₁₃ClN₂O₂ Peso molecular: 216.66 PubChem CID: 12414202

GRADE & PURITY ≥97%

Synonyms

Ethyl 4-hydrazinylbenzoate hydrochloride | 40566-85-6 | 4-Hydrazino-benzoic acid ethyl ester hydrochloride | ethyl 4-hydrazinobenzoate hydrochloride | ethyl 4-hydrazinylbenzoate | hydrochloride | 4-Hydrazino-benzoic acid ethyl ester HCl | SCHEMBL3348590 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Ethyl 4-hydrazinylbenzoate hydrochloride | 40566-85-6 | 4-Hydrazino-benzoic acid ethyl ester hydrochloride | ethyl 4-hydrazinobenzoate hydrochloride | ethyl 4-hydrazinylbenzoate | hydrochloride | 4-Hydrazino-benzoic acid ethyl ester HCl | SCHEMBL3348590 |

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

• Sorrisos canónicos: CCOC(=O)C1=CC=C(C=C1)NN.Cl
• IUPAC Name: ethyl 4-hydrazinylbenzoate;hydrochloride
• InChIKey: BTZOWQCBGLZWSD-UHFFFAOYSA-N
• INCHI: 1S/C9H12N2O2.ClH/c1-2-13-9(12)7-3-5-8(11-10)6-4-7;/h3-6,11H,2,10H2,1H3;1H
• SMILES isoméricas: CCOC(=O)C1=CC=C(C=C1)NN.Cl
• PubChem CID: 12414202
• Peso molecular: 216.66

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Phenylhydrazines Benzoyl derivatives Carboxylic acid esters Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Hydrazines and derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Phenylhydrazine - Benzoyl - Carboxylic acid ester - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Hydrazine derivative - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• 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

Propriedades químicas e físicas

• Peso molecular: 216.660 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 216.067 Da
• Monoisotopic Mass: 216.067 Da
• Topological Polar Surface Area: 64.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 165.000
• 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: 2

XLogP3

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 40566-85-6, the molecular formula is C9H13ClN2O2, and the molecular weight is 216.66 g/mol. InChIKey BTZOWQCBGLZWSD-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.