2-Iodo-4-(trifluoromethyl)phenol - ≥97% , CAS No.463976-21-8

CAS: 463976-21-8 Cat. No.: I138877 Peso molecular: 288.01 Número EC: 961-173-4

GRADE & PURITY ≥97%

Synonyms

MB12078 | A1-00120 | SCHEMBL365939 | BCP08794 | FT-0702506 | DS-13738 | AKOS016006410 | Phenol, 2-iodo-4-(trifluoromethyl)- | 2-Iodo-4-Trifluoromethylphenol | 2-IODO-4-TRIFLUOROMETHYL-PHENOL | alpha,alpha,alpha-trifluoro-o-iodo-p-cresol | MFCD12922960 | D

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Descripción general

Application：

2-Iodo-4-(trifluoromethyl)phenol is an pharmaceutical intermediate and it is an intermediate in organic synthesis.

Specifications

Sinónimos

MB12078 | A1-00120 | SCHEMBL365939 | BCP08794 | FT-0702506 | DS-13738 | AKOS016006410 | Phenol, 2-iodo-4-(trifluoromethyl)- | 2-Iodo-4-Trifluoromethylphenol | 2-IODO-4-TRIFLUOROMETHYL-PHENOL | alpha, alpha, alpha-trifluoro-o-iodo-p-cresol | MFCD12922960 | D

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488197597
• Sonrisas canónicas: C1=CC(=C(C=C1C(F)(F)F)I)O
• IUPAC Name: 2-iodo-4-(trifluoromethyl)phenol
• InChIKey: MRDCXUYQUSFQKF-UHFFFAOYSA-N
• INCHI: 1S/C7H4F3IO/c8-7(9,10)4-1-2-6(12)5(11)3-4/h1-3,12H
• Isómeros SMILES: C1=CC(=C(C=C1C(F)(F)F)I)O
• Peso molecular: 288.01
• Reaxy-Rn: 10156231
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10156231&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Trifluoromethylbenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: O-iodophenols Iodobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl iodides Organooxygen compounds Organoiodides Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - 2-halophenol - 2-iodophenol - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Iodobenzene - Aryl halide - Aryl iodide - Organoiodide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organohalogen compound - Organofluoride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl 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

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Punto de ebullición (°C): 105°/44mm
• Peso molecular: 288.010 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 287.926 Da
• Monoisotopic Mass: 287.926 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 159.000
• 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