Ethyl 3-hydrazinobenzoate hydrochloride - ≥95% , CAS No.940875-99-0

CAS: 940875-99-0 Cat. No.: E479828 Molecular Weight: 216.66 EC Number: 804-834-3

GRADE & PURITY ≥95%

Synonyms

Ethyl 3-hydrazinobenzoate hydrochloride | Ethyl 3-hydrazinylbenzoate--hydrogen chloride (1/1) | Ethyl 3-hydrazinylbenzoate hydrochloride | MFCD06796173 | AKOS015958917 | ethyl 3-hydrazinylbenzoate;hydrochloride | SCHEMBL971443 | ethyl 3-hydrazinylbenzoate

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

Ethyl 3-hydrazinobenzoate hydrochloride | Ethyl 3-hydrazinylbenzoate--hydrogen chloride (1/1) | Ethyl 3-hydrazinylbenzoate hydrochloride | MFCD06796173 | AKOS015958917 | ethyl 3-hydrazinylbenzoate;hydrochloride | SCHEMBL971443 | ethyl 3-hydrazinylbenzoate

Specifications & Purity

≥95%

Legal Information

Product of ChemBridge Corp.

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504770393
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770393
• Canonical Smiles: CCOC(=O)C1=CC(=CC=C1)NN.Cl
• IUPAC Name: ethyl 3-hydrazinylbenzoate;hydrochloride
• InChIKey: YMKGDNLSBACMSE-UHFFFAOYSA-N
• INCHI: 1S/C9H12N2O2.ClH/c1-2-13-9(12)7-4-3-5-8(6-7)11-10;/h3-6,11H,2,10H2,1H3;1H
• Isomeric SMILES: CCOC(=O)C1=CC(=CC=C1)NN.Cl
• WGK Germany: 3
• Alternate CAS: 90556-87-9
• Molecular Weight: 216.66
• Reaxy-Rn: 23204285
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23204285&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 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
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 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: 173.000
• 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

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