3-Bromo-2-iodophenol - ≥98% , CAS No.855836-52-1

CAS: 855836-52-1 Cat. No.: B187151 分子式: C₆H₄BrIO 分子量: 298.9 EC番号: 972-846-7

GRADE & PURITY ≥98%

Synonyms

AKOS016001207 | FT-0713721 | MFCD08166320 | SCHEMBL2677547 | TD1055 | Bromjodphenol | MB05341 | SY124560 | AC-28555 | AM804419 | DTXSID70457380 | DS-13746 | 3-Bromo-2-iodophenol

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

AKOS016001207 | FT-0713721 | MFCD08166320 | SCHEMBL2677547 | TD1055 | Bromjodphenol | MB05341 | SY124560 | AC-28555 | AM804419 | DTXSID70457380 | DS-13746 | 3-Bromo-2-iodophenol

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

• パブケム・シド: 504766100
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504766100
• カノニカル・スマイル: C1=CC(=C(C(=C1)Br)I)O
• IUPAC Name: 3-bromo-2-iodophenol
• InChIKey: WJJYPSTVJBRTGK-UHFFFAOYSA-N
• INCHI: 1S/C6H4BrIO/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
• 異性体SMILES: C1=CC(=C(C(=C1)Br)I)O
• 分子量: 298.9
• Reaxy-Rn: 3237889
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3237889&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenols
      • Subclass Halophenols
        • Level5 Iodophenols
          • Level6 O-iodophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Iodophenols
• Direct Parent: O-iodophenols
• Alternative Parents: M-bromophenols Iodobenzenes Bromobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl iodides Aryl bromides Organooxygen compounds Organoiodides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-bromophenol - 2-iodophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Iodobenzene - Aryl bromide - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organoiodide - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as o-iodophenols. These are iodophenols carrying a iodine at the C2 position of the benzene ring.
• 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

化学的性質と物理的性質

• 分子量: 298.900 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 297.849 Da
• Monoisotopic Mass: 297.849 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 99.100
• 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

よくある質問

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 855836-52-1, the molecular formula is C6H4BrIO, and the molecular weight is 298.9 g/mol. InChIKey WJJYPSTVJBRTGK-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.