3-Iodoanisole - ≥99% , CAS No.766-85-8

CAS: 766-85-8 Cat. No.: I123674 Summenformel: C₇H₇IO Molekulargewicht: 234.03 Beilstein Registry Number: 1858896 EG-Nummer: 212-173-1

GRADE & PURITY ≥99%

Synonyms

AS-19208 | SCHEMBL12015255 | SY027986 | AKOS008949239 | 3-Methoxyiodobenzene | 3-methoxy-iodobenzene | A19933 | NSC 60726 | F15426 | 1-Iodo-3-methoxybenzene | 1-iodo-3-methoxy-benzene | InChI=1/C7H7IO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3 | m-iodoanisol | NSC607

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

AS-19208 | SCHEMBL12015255 | SY027986 | AKOS008949239 | 3-Methoxyiodobenzene | 3-methoxy-iodobenzene | A19933 | NSC 60726 | F15426 | 1-Iodo-3-methoxybenzene | 1-iodo-3-methoxy-benzene | InChI=1/C7H7IO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3 | m-iodoanisol | NSC607

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

488184412

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184412

Kanonisches Lächeln

COC1=CC(=CC=C1)I

IUPAC Name

1-iodo-3-methoxybenzene

InChIKey

RSHBAGGASAJQCH-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

COC1=CC(=CC=C1)I

WGK Deutschland

3

Molekulargewicht

234.03

Beilstein

1858896

Reaxy-Rn

1858896

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1858896&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in chloroform, alcohol, ether. Insoluble in water.
• Empfindlichkeit: Light sensitive.
• Brechungsindex: 1.6110 - 1.6150
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): >110°C
• Siedepunkt (°C): 245°C
• Molekulargewicht: 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: 85.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥99% 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 766-85-8, the molecular formula is C7H7IO, and the molecular weight is 234.03 g/mol. InChIKey RSHBAGGASAJQCH-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.