1-Iodobutan-2-ol - ≥98% , CAS No.124780-92-3

CAS: 124780-92-3 Cat. No.: I986491 Formula: C₄H₉IO Peso molecolare: 200.020 Numero EC: 989-355-9

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

CCC(CI)O

IUPAC Name

1-iodobutan-2-ol

InChIKey

XATASVWMNXKVMR-UHFFFAOYSA-N

INCHI

1S/C4H9IO/c1-2-4(6)3-5/h4,6H,2-3H2,1H3

Peso molecolare

200.020

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Halohydrins
      • Subclass Iodohydrins

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Halohydrins
• Subclass: Iodohydrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Iodohydrins
• Alternative Parents: Secondary alcohols Organoiodides Hydrocarbon derivatives Alkyl iodides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Iodohydrin - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Alkyl iodide - Alkyl halide - Alcohol - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as iodohydrins. These are alcohols substituted by a iodine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups.
• 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: 200.020 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 199.97 Da
• Monoisotopic Mass: 199.97 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 30.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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.

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

The CAS Number is 124780-92-3, the molecular formula is C4H9IO, and the molecular weight is 200.020 g/mol. InChIKey XATASVWMNXKVMR-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.