GRADE & PURITY ≥95%

Synonyms

AKOS001171579 | 3-(3'-(Trifluoromethyl)phenoxy)benzaldehyde | FT-0641690 | RPORRWJOHNQOHN-UHFFFAOYSA- | CK2102 | DTXSID70229261 | MFCD00003356 | STR06012 | 3-(α,α,α-Trifluoro-m-tolyloxy)benzaldehyde

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

3-[3-(Trifluoromethyl)phenoxy]benzaldehyde was used in the synthesis of:
5,10,15,20-tetra[3-(3-trifluoromethyl)phenoxy]porphyrin.
4-{4-naphthalen-2-yl-5-[3-(3-trifluoromethyl-phenoxy)-phenyl]-imidazol-1-yl}-piperidine.

Specifications

Synonyms

AKOS001171579 | 3-(3'-(Trifluoromethyl)phenoxy)benzaldehyde | FT-0641690 | RPORRWJOHNQOHN-UHFFFAOYSA- | CK2102 | DTXSID70229261 | MFCD00003356 | STR06012 | 3-(α, α, α-Trifluoro-m-tolyloxy)benzaldehyde

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488190132
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190132
• Canonical Smiles: C1=CC(=CC(=C1)OC2=CC=CC(=C2)C(F)(F)F)C=O
• IUPAC Name: 3-[3-(trifluoromethyl)phenoxy]benzaldehyde
• InChIKey: RPORRWJOHNQOHN-UHFFFAOYSA-N
• INCHI: 1S/C14H9F3O2/c15-14(16,17)11-4-2-6-13(8-11)19-12-5-1-3-10(7-12)9-18/h1-9H
• Isomeric SMILES: C1=CC(=CC(=C1)OC2=CC=CC(=C2)C(F)(F)F)C=O
• Molecular Weight: 266.22
• Reaxy-Rn: 8982321
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8982321&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Trifluoromethylbenzenes Phenoxy compounds Phenol ethers Benzoyl derivatives Benzaldehydes Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Trifluoromethylbenzene - Phenoxy compound - Benzaldehyde - Benzoyl - Phenol ether - Aryl-aldehyde - Ether - Aldehyde - Organofluoride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• 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

Chemical and Physical Properties

• Boil Point(°C): 130°C/1.4mmHg
• Molecular Weight: 266.210 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 266.055 Da
• Monoisotopic Mass: 266.055 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 304.000
• 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