4'-Chloro-2,2,2-trifluoroacetophenone - ≥97%(GC) , CAS No.321-37-9

CAS: 321-37-9 Cat. No.: C153769 Formula: C₈H₄ClF₃O Peso molecolare: 208.56 Numero EC: 626-800-5

GRADE & PURITY ≥97%(GC)

Synonyms

4-Chloro-A,A,A-trifluoroacetophenone | CK2589 | DTXSID2059807 | OMEGA,OMEGA,OMEGA-TRIFLUORO-P-CHLORO ACETOPHENONE | 4'-Chloro-2,2,2-trifluoroacetophenone, 99% | Ethanone, 1-(4-chlorophenyl)-2,2,2-trifluoro- | NSC405747 | NSC-405747 | MFCD00018686 | BDBM10

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

4-Chloro-A,A,A-trifluoroacetophenone | CK2589 | DTXSID2059807 | OMEGA,OMEGA,OMEGA-TRIFLUORO-P-CHLORO ACETOPHENONE | 4'-Chloro-2,2,2-trifluoroacetophenone, 99% | Ethanone, 1-(4-chlorophenyl)-2,2,2-trifluoro- | NSC405747 | NSC-405747 | MFCD00018686 | BDBM10

Specifiche e purezza

≥97%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%(GC)

Nomi e identificatori

Pubchem Sid

504754176

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754176

Sorrisi canonici

C1=CC(=CC=C1C(=O)C(F)(F)F)Cl

IUPAC Name

1-(4-chlorophenyl)-2,2,2-trifluoroethanone

InChIKey

DYPQUENOGZXOGE-UHFFFAOYSA-N

INCHI

1S/C8H4ClF3O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H

Isomeri SMILES

C1=CC(=CC=C1C(=O)C(F)(F)F)Cl

WGK Germania

3

Peso molecolare

208.56

Reaxy-Rn

1955904

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1955904&ln=

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: Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes Aryl chlorides Alpha-haloketones Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Hydrocarbon derivative - Organic oxide - Alkyl halide - Organohalogen compound - Organochloride - Organofluoride - Alkyl fluoride - 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

• Punto di infiammabilità (°F): 172.4 °F
• Punto di infiammabilità (°C): 78 °C
• Punto di ebollizione (°C): 180-183 °C(lit.)
• Punto di fusione (°C): 24-26°C
• Peso molecolare: 208.560 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 207.99 Da
• Monoisotopic Mass: 207.99 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 194.000
• 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, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). 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 321-37-9, the molecular formula is C8H4ClF3O, and the molecular weight is 208.56 g/mol. InChIKey DYPQUENOGZXOGE-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.