1-Etossimetil-2-iodoimidazolo - ≥98% , CAS No.146697-87-2

CAS: 146697-87-2 Cat. No.: E181561 Formula: C₆H₉IN₂O Peso molecolare: 252.1 Numero EC: 681-043-8

GRADE & PURITY ≥98%

Synonyms

DTXSID30378441 | P10274 | AKOS015843596 | SCHEMBL2061624 | PS-3325 | A808541 | 1-(Ethoxymethyl)-2-iodo-1H-imidazole | 5-(3-HYDROXY-PHENYL)-1H-PYRAZOLE-3-CARBOXYLICACID | 1H-Imidazole,1-(ethoxymethyl)-2-iodo- | 1-(ethoxymethyl)-2-iodoimidazole | J-008245 |

Storage

Room temperature

Shipped In

Normale

Specifications

Sinonimi

DTXSID30378441 | P10274 | AKOS015843596 | SCHEMBL2061624 | PS-3325 | A808541 | 1-(Ethoxymethyl)-2-iodo-1H-imidazole | 5-(3-HYDROXY-PHENYL)-1H-PYRAZOLE-3-CARBOXYLICACID | 1H-Imidazole,1-(ethoxymethyl)-2-iodo- | 1-(ethoxymethyl)-2-iodoimidazole | J-008245 |

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: CCOCN1C=CN=C1I
• IUPAC Name: 1-(ethoxymethyl)-2-iodoimidazole
• InChIKey: YISOPKRYYGYKJQ-UHFFFAOYSA-N
• INCHI: 1S/C6H9IN2O/c1-2-10-5-9-4-3-8-6(9)7/h3-4H,2,5H2,1H3
• Isomeri SMILES: CCOCN1C=CN=C1I
• Peso molecolare: 252.1
• Reaxy-Rn: 6136285
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6136285&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Aryl halides
      • Subclass Aryl iodides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Aryl halides
• Subclass: Aryl iodides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl iodides
• Alternative Parents: N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-substituted imidazole - Aryl iodide - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aryl iodides. These are organic compounds containing the acyl iodide functional 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

Proprietà chimiche e fisiche

• Peso molecolare: 252.050 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 251.976 Da
• Monoisotopic Mass: 251.976 Da
• Topological Polar Surface Area: 27.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 102.000
• 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 146697-87-2, the molecular formula is C6H9IN2O, and the molecular weight is 252.1 g/mol. InChIKey YISOPKRYYGYKJQ-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.