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

CAS: 170141-63-6 Cat. No.: T123690 Formula: C₉H₇F₃O₂ Peso molecolare: 204.15 Beilstein Registry Number: 1873998 Numero EC: 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

Panoramica

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

Sinonimi

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-

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488191389

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

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

WGK Germania

3

PubChem CID

737161

Peso molecolare

204.15

Beilstein

1873998

Reaxy-Rn

6196333

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.452-1.454
• Punto di infiammabilità (°F): 181°F
• Punto di infiammabilità (°C): 83°C
• Punto di ebollizione (°C): 49-51°/13mm
• Peso molecolare: 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

Domande frequenti

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.