(2-Iodophenyl)(phenyl)methanone - ≥97% , CAS No.25187-00-2

CAS: 25187-00-2 Cat. No.: I588415 Formule: C₁₃H₉IO Poids moléculaire: 308.12 Numéro CE: 674-187-8

GRADE & PURITY ≥97%

Synonyms

FS-4468 | D82068 | DTXSID00374758 | Methanone, (2-iodophenyl)phenyl- | Fmoc-(S)-3-Amino-3-(2-nitro-phenyl)-propionicacid | (2-iodophenyl)-phenylmethanone | (2-iodophenyl)(phenyl)methanone | MFCD00270108 | I-7530 | SCHEMBL154090 | (2-iodanylphenyl)-phenyl-

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Synonymes

FS-4468 | D82068 | DTXSID00374758 | Methanone, (2-iodophenyl)phenyl- | Fmoc-(S)-3-Amino-3-(2-nitro-phenyl)-propionicacid | (2-iodophenyl)-phenylmethanone | (2-iodophenyl)(phenyl)methanone | MFCD00270108 | I-7530 | SCHEMBL154090 | (2-iodanylphenyl)-phenyl-

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light,Desiccated

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

508806476

Sourires canoniques

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2I

IUPAC Name

(2-iodophenyl)-phenylmethanone

InChIKey

MEIFVWINIHKENC-UHFFFAOYSA-N

INCHI

1S/C13H9IO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9H

Isomères SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2I

Poids moléculaire

308.12

Reaxy-Rn

2444487

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2444487&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Iodobenzenes Aryl iodides Vinylogous halides Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Benzoyl - Aryl ketone - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Vinylogous halide - Ketone - Organohalogen compound - Organoiodide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

• Sensibilité: Light sensitive
• Poids moléculaire: 308.110 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 307.97 Da
• Monoisotopic Mass: 307.97 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 221.000
• 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