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

CAS: 25309-64-2 Cat. No.: E189089 Formula: C₈H₉I Peso molecolare: 232.06 Numero EC: 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

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488188108
• Sorrisi canonici: 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
• Isomeri SMILES: CCC1=CC=C(C=C1)I
• Peso molecolare: 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
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.591
• Punto di infiammabilità (°F): 107℃
• Punto di infiammabilità (°C): 107℃
• Punto di ebollizione (°C): 112-113 ℃
• Punto di fusione (°C): -17℃
• Peso molecolare: 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