4-(Hydroxymethyl)-2,6-diiodophenol - ≥95% , CAS No.37987-26-1

CAS: 37987-26-1 Cat. No.: H1044161 Formula: C₇H₆I₂O₂ Peso molecolare: 375.93 Numero EC: 974-384-1 PubChem CID: 11057881

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

C1=C(C=C(C(=C1I)O)I)CO

IUPAC Name

4-(hydroxymethyl)-2,6-diiodophenol

InChIKey

VJXBYCZCWPIBRJ-UHFFFAOYSA-N

INCHI

1S/C7H6I2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,10-11H,3H2

Isomeri SMILES

C1=C(C=C(C(=C1I)O)I)CO

PubChem CID

11057881

Peso molecolare

375.93

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzyl alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl alcohols
• Alternative Parents: O-iodophenols Iodobenzenes Aryl iodides Primary alcohols Organoiodides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl alcohol - 2-halophenol - 2-iodophenol - Phenol - Iodobenzene - Halobenzene - Aryl halide - Aryl iodide - Primary alcohol - Organooxygen compound - Organoiodide - Organohalogen compound - Alcohol - Aromatic alcohol - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.
• 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: 375.930 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 375.846 Da
• Monoisotopic Mass: 375.846 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 120.000
• 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 ≥95% 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 37987-26-1, the molecular formula is C7H6I2O2, and the molecular weight is 375.93 g/mol. InChIKey VJXBYCZCWPIBRJ-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.