estere etilico dell'acido 2-iodobenzoico - ≥98% , CAS No.1829-28-3

CAS: 1829-28-3 Cat. No.: E189053 Formula: C₉H₉IO₂ Peso molecolare: 276.07 Numero EC: 605-985-6

GRADE & PURITY ≥98%

Synonyms

DTXSID70385235 | A812732 | GS-3530 | J-520762 | ethyl-2-iodobenzoate | D70261 | n-carbobenzoxyglycine-p-nitrophenyl ester | AKOS008948276 | 2-iodobenzoic acid ethyl ester | 2-Iodo-benzoic acid ethyl ester | SY037880 | Benzoic acid, 2-iodo-, ethyl ester |

Storage

Temperatura ambiente

Shipped In

Normale

Specifications

Sinonimi

DTXSID70385235 | A812732 | GS-3530 | J-520762 | ethyl-2-iodobenzoate | D70261 | n-carbobenzoxyglycine-p-nitrophenyl ester | AKOS008948276 | 2-iodobenzoic acid ethyl ester | 2-Iodo-benzoic acid ethyl ester | SY037880 | Benzoic acid, 2-iodo-, ethyl ester |

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Temperatura ambiente

Spedito in

Normale

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488194088
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194088
• Sorrisi canonici: CCOC(=O)C1=CC=CC=C1I
• IUPAC Name: ethyl 2-iodobenzoate
• InChIKey: QOUFDDUDXYJWHV-UHFFFAOYSA-N
• INCHI: 1S/C9H9IO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3
• Isomeri SMILES: CCOC(=O)C1=CC=CC=C1I
• Peso molecolare: 276.07
• Reaxy-Rn: 2084297
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2084297&ln=

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: 2-halobenzoic acids and derivatives Benzoyl derivatives Iodobenzenes Aryl iodides Vinylogous halides Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Iodobenzene - Halobenzene - Aryl iodide - Aryl halide - Vinylogous halide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organoiodide - Organohalogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Difficult to mix.
• Sensibilità: light sensitive
• Indice di rifrazione: 1.59
• Punto di infiammabilità (°C): 121 °C
• Punto di ebollizione (°C): 165°C/23mmHg
• Peso molecolare: 276.070 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 275.965 Da
• Monoisotopic Mass: 275.965 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 159.000
• 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 ≥98% 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 1829-28-3, the molecular formula is C9H9IO2, and the molecular weight is 276.07 g/mol. InChIKey QOUFDDUDXYJWHV-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.