4-Hydroxy-4′-iodobiphenyl - ≥98% , CAS No.29558-78-9

CAS: 29558-78-9 Cat. No.: H332431 Summenformel: C₁₂H₉OI Molekulargewicht: 296.1 EG-Nummer: 681-685-9

GRADE & PURITY ≥98%

Synonyms

SCHEMBL566090 | 4'-iodo-1,1'-biphenyl-4-ol | 4'-Iodo-[1,1'-biphenyl]-4-ol | MFCD02258843 | AKOS000121362 | 4'-iodobiphenyl-4-ol | WJXIAMCDWSUSEI-UHFFFAOYSA-N | Z56347233 | HMS1789D10 | [1,1'-Biphenyl]-4-ol, 4'-iodo- | 4-Hydroxy-4'-iodobiphenyl | A819961 |

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyme

SCHEMBL566090 | 4'-iodo-1,1'-biphenyl-4-ol | 4'-Iodo-[1,1'-biphenyl]-4-ol | MFCD02258843 | AKOS000121362 | 4'-iodobiphenyl-4-ol | WJXIAMCDWSUSEI-UHFFFAOYSA-N | Z56347233 | HMS1789D10 | [1,1'-Biphenyl]-4-ol, 4'-iodo- | 4-Hydroxy-4'-iodobiphenyl | A819961 |

Spezifikationen & Reinheit

≥98%

Storage

Protected from light,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488192058

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192058

Kanonisches Lächeln

C1=CC(=CC=C1C2=CC=C(C=C2)I)O

IUPAC Name

4-(4-iodophenyl)phenol

InChIKey

WJXIAMCDWSUSEI-UHFFFAOYSA-N

INCHI

1S/C12H9IO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,14H

Isomere SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)I)O

Molekulargewicht

296.1

Reaxy-Rn

1942347

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1942347&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Iodobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl iodides Organooxygen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Iodobenzene - Halobenzene - Aryl iodide - Aryl halide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

• Empfindlichkeit: Light Sensitive.
• Brechungsindex: n20D1.67 (Predicted)
• Siedepunkt (°C): 367.06° C at 760 mmHg (Predicted)
• Schmelzpunkt (°C): 117-119° C
• Molekulargewicht: 296.100 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 295.97 Da
• Monoisotopic Mass: 295.97 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 167.000
• 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