Ethyl 2-chloro-2-(2-(4-methoxyphenyl)hydrazono)acetate - ≥97% , CAS No.27143-07-3

CAS: 27143-07-3 Cat. No.: E588509 Molecular Weight: 256.68 EC Number: 608-053-7

GRADE & PURITY ≥97%

Synonyms

Chloro[(4-methoxyphenyl)hydrazono]acetic acid ethyl ester | AKOS015951073 | Z57468014 | Acetic acid, 2-chloro-2-[2-(4-methoxyphenyl)hydrazinylidene], ethyl ester;(Z)-Ethyl 2-chloro-2-(2-(4-methoxyphenyl)hydrazono)acetate | A846990 | AC-26372 | ethyl (Z)-2

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

Chloro[(4-methoxyphenyl)hydrazono]acetic acid ethyl ester | AKOS015951073 | Z57468014 | Acetic acid, 2-chloro-2-[2-(4-methoxyphenyl)hydrazinylidene], ethyl ester;(Z)-Ethyl 2-chloro-2-(2-(4-methoxyphenyl)hydrazono)acetate | A846990 | AC-26372 | ethyl (Z)-2

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504766990
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766990
• Canonical Smiles: CCOC(=O)C(=NNC1=CC=C(C=C1)OC)Cl
• IUPAC Name: ethyl (2Z)-2-chloro-2-[(4-methoxyphenyl)hydrazinylidene]acetate
• InChIKey: ATNPZEGMKLGIFA-UVTDQMKNSA-N
• INCHI: 1S/C11H13ClN2O3/c1-3-17-11(15)10(12)14-13-8-4-6-9(16-2)7-5-8/h4-7,13H,3H2,1-2H3/b14-10-
• Isomeric SMILES: CCOC(=O)/C(=N/NC1=CC=C(C=C1)OC)/Cl
• Alternate CAS: 27143-07-3,473927-63-8
• Molecular Weight: 256.68
• Reaxy-Rn: 750529
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=750529&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyanilines
• Alternative Parents: Phenylhydrazines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Alpha-halocarboxylic acid derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Hydrazones Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Phenylhydrazine - Phenol ether - Alkyl aryl ether - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Ether - Hydrazone - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as methoxyanilines. These are organic compound containing an aniline group substituted at one or more positions by a methoxy group.
• 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: 256.680 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 256.061 Da
• Monoisotopic Mass: 256.061 Da
• Topological Polar Surface Area: 59.900 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 276.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1