4-Iodoanisole - ≥98% , CAS No.696-62-8

CAS: 696-62-8 Cat. No.: L359048 Summenformel: IC₆H₄OCH₃ Molekulargewicht: 234.03 Beilstein Registry Number: 1906692 EG-Nummer: 211-798-7

GRADE & PURITY ≥98%

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,Desiccated,Room temperature

Shipped In

Normal

Specifications

Synonyme

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(

Spezifikationen & Reinheit

≥98%

Storage

Protected from light,Desiccated,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508809720

Kanonisches Lächeln

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

Isomere SMILES

COC1=CC=C(C=C1)I

WGK Deutschland

3

Molekulargewicht

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
    • 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 ethanol, ether, chloroform
• Empfindlichkeit: Light sensitive.
• Flammpunkt (°F): 233.6 °F
• Flammpunkt (°C): 112 °C
• Siedepunkt (°C): 237°C
• Schmelzpunkt (°C): 51°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: 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