Ethyl 2-(4-iodophenyl)acetate - ≥95% , CAS No.15250-46-1

CAS: 15250-46-1 Cat. No.: E587382 Formula: C₁₀H₁₁IO₂ Peso molecolare: 290.10

GRADE & PURITY ≥95%

Synonyms

SY041746 | AS-8003 | ethyl 2-(4-iodophenyl)acetate | AKOS015910536 | (4-Iodo-phenyl)-acetic acid ethyl ester | Benzeneacetic acid,4-iodo-,ethyl ester | YDJDSUNRSIVGMI-UHFFFAOYSA-N | 4-Iodophenylacetic acid ethyl ester | ethyl (4-iodophenyl)acetate | AC227

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Sinonimi

SY041746 | AS-8003 | ethyl 2-(4-iodophenyl)acetate | AKOS015910536 | (4-Iodo-phenyl)-acetic acid ethyl ester | Benzeneacetic acid,4-iodo-,ethyl ester | YDJDSUNRSIVGMI-UHFFFAOYSA-N | 4-Iodophenylacetic acid ethyl ester | ethyl (4-iodophenyl)acetate | AC227

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light,Desiccated

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 528755961
• Sorrisi canonici: CCOC(=O)CC1=CC=C(C=C1)I
• IUPAC Name: ethyl 2-(4-iodophenyl)acetate
• InChIKey: YDJDSUNRSIVGMI-UHFFFAOYSA-N
• INCHI: 1S/C10H11IO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3
• Isomeri SMILES: CCOC(=O)CC1=CC=C(C=C1)I
• Peso molecolare: 290.10
• Reaxy-Rn: 1948741
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1948741&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Iodobenzenes
• Alternative Parents: Aryl iodides Carboxylic acid esters Monocarboxylic acids and derivatives Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Iodobenzene - Aryl iodide - Aryl halide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene.
• 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: 290.100 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 289.98 Da
• Monoisotopic Mass: 289.98 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 162.000
• 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