4-Iodobiphenyl - ≥97% , CAS No.1591-31-7

CAS: 1591-31-7 Cat. No.: I102017 Formule: C₆H₅C₆H₄I Poids moléculaire: 280.1 Beilstein Registry Number: 5(4)1821 Numéro CE: 216-469-1

QUALITÉ & PURETÉ ≥97%

Synonyms

6AN2BA2TAV | BBL002447 | NSC 3791 | DTXSID7061807 | 1-iodanyl-4-phenyl-benzene | AC-22940 | SY014973 | AE-848/30708050 | A935197 | AI3-15372 | AM20030070 | NSC3791 | NSC-3791 | InChI=1/C12H9I/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H | 4-Iodo-1,1'-biphen

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

4-Iodobiphenyl is used as a starting material for the preparation of p-terphenyl derivatives. It is also used in Suzuki reaction.

Spécifications

Synonymes

6AN2BA2TAV | BBL002447 | NSC 3791 | DTXSID7061807 | 1-iodanyl-4-phenyl-benzene | AC-22940 | SY014973 | AE-848/30708050 | A935197 | AI3-15372 | AM20030070 | NSC3791 | NSC-3791 | InChI=1/C12H9I/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H | 4-Iodo-1,1'-biphen

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504752654

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752654

Sourires canoniques

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

IUPAC Name

1-iodo-4-phenylbenzene

InChIKey

NXYICUMSYKIABQ-UHFFFAOYSA-N

INCHI

1S/C12H9I/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H

Isomères SMILES

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

WGK Allemagne

3

Numéro ONU

3077

Poids moléculaire

280.1

Beilstein

5(4)1821

Reaxy-Rn

2042411

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042411&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Iodobenzenes Aryl iodides Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Iodobenzene - Halobenzene - Aryl iodide - Aryl halide - Hydrocarbon derivative - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Slightly soluble in water.
• Sensibilité: Light sensitive.
• Point d'ébullition (°C): 320°C
• Point de fusion (°C): 110-114°C
• Poids moléculaire: 280.100 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 279.975 Da
• Monoisotopic Mass: 279.975 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 141.000
• 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