3-Iodo-2-propynol - ≥95% , CAS No.1725-82-2

CAS: 1725-82-2 Cat. No.: I1357232 Formula: C₃H₃IO Peso molecolare: 181.96 Numero EC: 217-035-4

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: C(C#CI)O
• IUPAC Name: 3-iodoprop-2-yn-1-ol
• InChIKey: JYQJMGROXSSXDR-UHFFFAOYSA-N
• INCHI: 1S/C3H3IO/c4-2-1-3-5/h5H,3H2
• Peso molecolare: 181.96

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Haloacetylenes and derivatives

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Haloacetylenes and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Haloacetylenes and derivatives
• Alternative Parents: Primary alcohols Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Haloacetylene or derivatives - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organoiodide - Alcohol - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as haloacetylenes and derivatives. These are organohalogen compounds containing an acetylene group substituted with one or more halogen atoms.
• 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: 181.960 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 181.923 Da
• Monoisotopic Mass: 181.923 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 65.500
• 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