4-Hidroxi-2-(trifluorometil)benzaldehído - ≥96% , CAS No.1243395-68-7

CAS: 1243395-68-7 Cat. No.: H190269 Peso molecular: 190.12

GRADE & PURITY ≥96%

Synonyms

4-HYDROXY-2-TRIFLUOROMETHYLBENZALDEHYDE | MB14770 | DS-17975 | DTXSID30677406 | SCHEMBL3718412 | MOZHNMRPBKZURU-UHFFFAOYSA-N | 1243395-68-7 | Benzaldehyde, 4-hydroxy-2-(trifluoromethyl)- | 4-Hydroxy-2-(trifluoromethyl)benzaldehyde | CL8359 | AKOS015890466

Storage

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Specifications

Sinónimos

4-HYDROXY-2-TRIFLUOROMETHYLBENZALDEHYDE | MB14770 | DS-17975 | DTXSID30677406 | SCHEMBL3718412 | MOZHNMRPBKZURU-UHFFFAOYSA-N | 1243395-68-7 | Benzaldehyde, 4-hydroxy-2-(trifluoromethyl)- | 4-Hydroxy-2-(trifluoromethyl)benzaldehyde | CL8359 | AKOS015890466

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, cargado con argón

Enviado en

Hielo húmedo

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 488201407
• Sonrisas canónicas: C1=CC(=C(C=C1O)C(F)(F)F)C=O
• IUPAC Name: 4-hydroxy-2-(trifluoromethyl)benzaldehyde
• InChIKey: MOZHNMRPBKZURU-UHFFFAOYSA-N
• INCHI: 1S/C8H5F3O2/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-4,13H
• Isómeros SMILES: C1=CC(=C(C=C1O)C(F)(F)F)C=O
• Peso molecular: 190.12
• Reaxy-Rn: 20879051
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20879051&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: Hydroxybenzaldehydes Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Hydroxybenzaldehyde - Benzaldehyde - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl-aldehyde - Aldehyde - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - 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

• Solubilidad: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 128 - 131°C
• Peso molecular: 190.120 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 190.024 Da
• Monoisotopic Mass: 190.024 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 190.000
• 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