Ethyl 2-(4-amino-2-fluorophenyl)acetate - ≥97% , CAS No.73781-63-2

CAS: 73781-63-2 Cat. No.: E186339 Formula: C₁₀H₁₂FNO₂ Peso molecolare: 197.2

GRADE & PURITY ≥97%

Synonyms

MFCD20484495 | Ethyl 2-(4-amino-2-fluorophenyl)acetate | DTXSID20578791 | SCHEMBL4049746 | EN300-340675 | ethyl 2-fluoro-4-aminophenylacetate | Ethyl2-(4-amino-2-fluorophenyl)acetate | Ethyl(4-amino-2-fluorophenyl)acetate | AKOS015999418 | AS-48661 | Ethy

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

MFCD20484495 | Ethyl 2-(4-amino-2-fluorophenyl)acetate | DTXSID20578791 | SCHEMBL4049746 | EN300-340675 | ethyl 2-fluoro-4-aminophenylacetate | Ethyl2-(4-amino-2-fluorophenyl)acetate | Ethyl(4-amino-2-fluorophenyl)acetate | AKOS015999418 | AS-48661 | Ethy

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

CCOC(=O)CC1=C(C=C(C=C1)N)F

IUPAC Name

ethyl 2-(4-amino-2-fluorophenyl)acetate

InChIKey

CKHZQBGGRYVXEB-UHFFFAOYSA-N

INCHI

1S/C10H12FNO2/c1-2-14-10(13)5-7-3-4-8(12)6-9(7)11/h3-4,6H,2,5,12H2,1H3

Isomeri SMILES

CCOC(=O)CC1=C(C=C(C=C1)N)F

Peso molecolare

197.2

Reaxy-Rn

15522986

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15522986&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Fluorobenzenes Aryl fluorides Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Primary amines Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 197.210 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 197.085 Da
• Monoisotopic Mass: 197.085 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 199.000
• 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

Domande frequenti

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 room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 73781-63-2, the molecular formula is C10H12FNO2, and the molecular weight is 197.2 g/mol. InChIKey CKHZQBGGRYVXEB-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.