4-Ethyliodobenzene - ≥98% , CAS No.25309-64-2

CAS: 25309-64-2 Cat. No.: E189089 Summenformel: C₈H₉I Molekulargewicht: 232.06 EG-Nummer: 607-691-3

GRADE & PURITY ≥98%

Synonyms

4-Ethyliodobenzene | FT-0618413 | Z381540768 | Benzene,1-ethyl-4-iodo- | InChI=1/C8H9I/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H | 1-Ethyl-4-iodobenzene # | Benzene, 1-ethyl-4-iodo- | 4-(3-Butenyloxy)benzoicAcid | SCHEMBL80820 | A817777 | DS-6409 | DTXSID70179954

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

4-Ethyliodobenzene | FT-0618413 | Z381540768 | Benzene,1-ethyl-4-iodo- | InChI=1/C8H9I/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H | 1-Ethyl-4-iodobenzene # | Benzene, 1-ethyl-4-iodo- | 4-(3-Butenyloxy)benzoicAcid | SCHEMBL80820 | A817777 | DS-6409 | DTXSID70179954

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488188108
• Kanonisches Lächeln: CCC1=CC=C(C=C1)I
• IUPAC Name: 1-ethyl-4-iodobenzene
• InChIKey: OOLSRHZMXAYDFB-UHFFFAOYSA-N
• INCHI: 1S/C8H9I/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3
• Isomere SMILES: CCC1=CC=C(C=C1)I
• Molekulargewicht: 232.06
• Reaxy-Rn: 2076973
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2076973&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Iodobenzenes
• Alternative Parents: Aryl iodides Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Iodobenzene - Aryl iodide - Aryl halide - Hydrocarbon derivative - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene.
• 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

• Brechungsindex: 1.591
• Flammpunkt (°F): 107℃
• Flammpunkt (°C): 107℃
• Siedepunkt (°C): 112-113 ℃
• Schmelzpunkt (°C): -17℃
• Molekulargewicht: 232.060 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 231.975 Da
• Monoisotopic Mass: 231.975 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 72.600
• 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