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

CAS: 25309-64-2 Cat. No.: E189089 Formula: C₈H₉I Molecular Weight: 232.06 EC Number: 607-691-3

GRADE & PURITY ≥98%

Synonyms

4-Ethyliodobenzene|Benzene,1-ethyl-4-iodo-|1-Ethyl-4-iodobenzene #|Benzene, 1-ethyl-4-iodo-|4-(3-Butenyloxy)benzoicAcid|1-Ethyl-4-iodobenzene|1-ethyl-4-iodo-benzene

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

4-Ethyliodobenzene | Benzene,1-ethyl-4-iodo- | 1-Ethyl-4-iodobenzene # | Benzene, 1-ethyl-4-iodo- | 4-(3-Butenyloxy)benzoicAcid | 1-Ethyl-4-iodobenzene | 1-ethyl-4-iodo-benzene

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

488188108

Canonical Smiles

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

Isomeric SMILES

CCC1=CC=C(C=C1)I

Molecular Weight

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
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Refractive Index: 1.591
• Flash Point(°F): 107℃
• Flash Point(°C): 107℃
• Boil Point(°C): 112-113 ℃
• Melt Point(°C): -17℃
• Molecular Weight: 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