4-Iodophenetole - ≥97% , CAS No.699-08-1

CAS: 699-08-1 Cat. No.: I111883 Formula: C₈H₉IO Peso molecolare: 248.06 Beilstein Registry Number: 6(4)1077 Numero EC: 615-030-5

GRADE & PURITY ≥97%

Synonyms

4-Ethoxyiodobenzene | p-Iodophenetole | Phenetole, p-iodo- | SY018622 | Z57197606 | p-Jodphenetol | DTXSID40277739 | 1-iodo-4-ethoxybenzene | SCHEMBL760252 | I0525 | InChI=1/C8H9IO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H | MFCD00061124 | NCGC00245302-01 | 4-

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Sinonimi

4-Ethoxyiodobenzene | p-Iodophenetole | Phenetole, p-iodo- | SY018622 | Z57197606 | p-Jodphenetol | DTXSID40277739 | 1-iodo-4-ethoxybenzene | SCHEMBL760252 | I0525 | InChI=1/C8H9IO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H | MFCD00061124 | NCGC00245302-01 | 4-

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488188668
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188668
• Sorrisi canonici: CCOC1=CC=C(C=C1)I
• IUPAC Name: 1-ethoxy-4-iodobenzene
• InChIKey: VSIIHWOJPSSIDI-UHFFFAOYSA-N
• INCHI: 1S/C8H9IO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
• Isomeri SMILES: CCOC1=CC=C(C=C1)I
• WGK Germania: 3
• Peso molecolare: 248.06
• Beilstein: 6(4)1077
• Reaxy-Rn: 2042067
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042067&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Iodobenzenes Alkyl aryl ethers Aryl iodides Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Iodobenzene - Halobenzene - Alkyl aryl ether - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

• Solubilità: Soluble in Methanol
• Sensibilità: Light sensitive.
• Punto di congelamento (°C): 26 °C
• Indice di rifrazione: 1.597
• Punto di infiammabilità (°F): 230 °F
• Punto di infiammabilità (°C): >110°
• Punto di ebollizione (°C): 133-134°C
• Punto di fusione (°C): 26°C
• Peso molecolare: 248.060 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 247.97 Da
• Monoisotopic Mass: 247.97 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 87.300
• 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