1-(3-Bromophenyl)-2,2,2-trifluoroethanol - ≥95% , CAS No.446-63-9

CAS: 446-63-9 Cat. No.: B489590 Peso molecular: 255.03 Número EC: 835-849-3

GRADE & PURITY ≥95%

Synonyms

EN300-98894 | J-503104 | Z838950512 | 1-(3-bromophenyl)-2,2,2-trifluoroethanol | 1-(3-bromophenyl)-2,2,2-trifluoroethan-1-ol | MFCD16067907 | DTXSID60633873 | YJAXYKDDEAMXAW-UHFFFAOYSA-N | Benzenemethanol, 3-bromo-.alpha.-(trifluoromethyl)- | SCHEMBL17942

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

EN300-98894 | J-503104 | Z838950512 | 1-(3-bromophenyl)-2, 2, 2-trifluoroethanol | 1-(3-bromophenyl)-2, 2, 2-trifluoroethan-1-ol | MFCD16067907 | DTXSID60633873 | YJAXYKDDEAMXAW-UHFFFAOYSA-N | Benzenemethanol, 3-bromo-.alpha.-(trifluoromethyl)- | SCHEMBL17942

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504769407
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769407
• Sonrisas canónicas: C1=CC(=CC(=C1)Br)C(C(F)(F)F)O
• IUPAC Name: 1-(3-bromophenyl)-2,2,2-trifluoroethanol
• InChIKey: YJAXYKDDEAMXAW-UHFFFAOYSA-N
• INCHI: 1S/C8H6BrF3O/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4,7,13H
• Isómeros SMILES: C1=CC(=CC(=C1)Br)C(C(F)(F)F)O
• Peso molecular: 255.03
• Reaxy-Rn: 2262330
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2262330&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aryl bromides Secondary alcohols Fluorohydrins Organofluorides Organobromides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromobenzene - Aryl bromide - Aryl halide - Fluorohydrin - Halohydrin - Secondary alcohol - Organobromide - Organohalogen compound - Alkyl fluoride - Alcohol - Aromatic alcohol - Hydrocarbon derivative - Organic oxygen compound - Organofluoride - Organooxygen compound - Alkyl halide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
• 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

• Peso molecular: 255.030 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 253.955 Da
• Monoisotopic Mass: 253.955 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 171.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1