4-Iodoanisole - ≥97% , CAS No.696-62-8

CAS: 696-62-8 Cat. No.: I107035 Formula: IC₆H₄OCH₃ Peso molecolare: 234.03 Beilstein Registry Number: 1906692 Numero EC: 211-798-7

GRADE & PURITY ≥97%

Synonyms

CHEBI:174192 | 4-Iodophenyl methyl ether, 4-Methoxyiodobenzene | Isoform | Benzene, 1-iodo-4-methoxy- | 4-Methoxyiodobenzene | 4-methoxy-iodobenzene | AC-22937 | EINECS 211-798-7 | para-iodo anisole | 4-methoxy-1-iodobenzene | InChI=1/C7H7IO/c1-9-7-4-2-6(

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Sinonimi

CHEBI:174192 | 4-Iodophenyl methyl ether, 4-Methoxyiodobenzene | Isoform | Benzene, 1-iodo-4-methoxy- | 4-Methoxyiodobenzene | 4-methoxy-iodobenzene | AC-22937 | EINECS 211-798-7 | para-iodo anisole | 4-methoxy-1-iodobenzene | InChI=1/C7H7IO/c1-9-7-4-2-6(

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

504754424

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754424

Sorrisi canonici

COC1=CC=C(C=C1)I

IUPAC Name

1-iodo-4-methoxybenzene

InChIKey

SYSZENVIJHPFNL-UHFFFAOYSA-N

INCHI

1S/C7H7IO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3

Isomeri SMILES

COC1=CC=C(C=C1)I

WGK Germania

3

Peso molecolare

234.03

Beilstein

1906692

Reaxy-Rn

1906692

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1906692&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Iodobenzenes Alkyl aryl ethers Aryl iodides Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Halobenzene - Iodobenzene - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Ether - Organohalogen compound - Organic oxygen compound - Organoiodide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

• Solubilità: Soluble in ethanol, ether, chloroform
• Sensibilità: Light sensitive.
• Punto di infiammabilità (°F): 233.6 °F
• Punto di infiammabilità (°C): 112 °C
• Punto di ebollizione (°C): 237°C
• Punto di fusione (°C): 51°C
• Peso molecolare: 234.030 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 233.954 Da
• Monoisotopic Mass: 233.954 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 77.000
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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 696-62-8, the molecular formula is C7H7IO, and the molecular weight is 234.03 g/mol. InChIKey SYSZENVIJHPFNL-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.