3′-(Trifluoromethoxy)acetophenone - ≥97% , CAS No.170141-63-6

CAS: 170141-63-6 Cat. No.: T123690 Summenformel: C₉H₇F₃O₂ Molekulargewicht: 204.15 Beilstein Registry Number: 1873998 EG-Nummer: 642-823-3 PubChem CID: 737161

GRADE & PURITY ≥97%

Synonyms

AKOS005145734 | Ethanone, 1-[3-(trifluoromethoxy)phenyl]- | AC-3628 | 3'-(Trifluoromethoxy)acetophenone | 3-(Trifluoromethoxy)acetophenone | A19690 | AM61796 | 3'-(Trifluoromethoxy)acetophenone, 98% | UYHTUQHYGKAYJM-UHFFFAOYSA- | CK2582 | J-010600 | 1-[3-

Storage

Room temperature

Shipped In

Normal

Übersicht

3′-(Trifluoromethoxy)acetophenone is a meta-substituted acetophenone. Ruthenium-catalyzed reaction of carbon-hydrogen bonds in 3′-(trifluoromethoxy)acetophenone (m-(trifluoromethoxy)acetophenone) with olefins has been examined.
3′-(Trifluoromethoxy)acetophenone (m-(trifluoromethoxy)acetophenone) may be used in the preparation of 4-(3′-trifluoromethoxyphenyl)-thiazol-2-yl ammonium iodide.

Specifications

Synonyme

AKOS005145734 | Ethanone, 1-[3-(trifluoromethoxy)phenyl]- | AC-3628 | 3'-(Trifluoromethoxy)acetophenone | 3-(Trifluoromethoxy)acetophenone | A19690 | AM61796 | 3'-(Trifluoromethoxy)acetophenone, 98% | UYHTUQHYGKAYJM-UHFFFAOYSA- | CK2582 | J-010600 | 1-[3-

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488191389

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191389

Kanonisches Lächeln

CC(=O)C1=CC(=CC=C1)OC(F)(F)F

IUPAC Name

1-[3-(trifluoromethoxy)phenyl]ethanone

InChIKey

UYHTUQHYGKAYJM-UHFFFAOYSA-N

INCHI

1S/C9H7F3O2/c1-6(13)7-3-2-4-8(5-7)14-9(10,11)12/h2-5H,1H3

Isomere SMILES

CC(=O)C1=CC(=CC=C1)OC(F)(F)F

WGK Deutschland

3

PubChem CID

737161

Molekulargewicht

204.15

Beilstein

1873998

Reaxy-Rn

6196333

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones
            • Ebene7 Phenylketones
              • Ebene8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Acetophenones Phenoxy compounds Phenol ethers Benzoyl derivatives Aryl alkyl ketones Trihalomethanes Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Phenoxy compound - Benzoyl - Phenol ether - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Trihalomethane - Halomethane - Organofluoride - Organohalogen compound - Organic oxide - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.452-1.454
• Flammpunkt (°F): 181°F
• Flammpunkt (°C): 83°C
• Siedepunkt (°C): 49-51°/13mm
• Molekulargewicht: 204.150 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 204.04 Da
• Monoisotopic Mass: 204.04 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 213.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 170141-63-6, the molecular formula is C9H7F3O2, and the molecular weight is 204.15 g/mol. InChIKey UYHTUQHYGKAYJM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.