4′-Chloro-3′-methylacetophenone - ≥97% , CAS No.37074-39-8

CAS: 37074-39-8 Cat. No.: C470980 Formula: C₉H₉ClO Peso molecolare: 168.62 Numero EC: 628-193-2

GRADE & PURITY ≥97%

Synonyms

MFCD00045172 | 3-Methyl-4-chloroacetophenone | SCHEMBL312135 | Ethanone, 1-(4-chloro-3-methylphenyl)- | 1-(4-Chloro-3-methylphenyl)ethanone | 1-(4-chloro-3-methyl-phenyl)-ethanone | 4 inverted exclamation mark -Chloro-3 inverted exclamation mark -methylac

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

MFCD00045172 | 3-Methyl-4-chloroacetophenone | SCHEMBL312135 | Ethanone, 1-(4-chloro-3-methylphenyl)- | 1-(4-Chloro-3-methylphenyl)ethanone | 1-(4-chloro-3-methyl-phenyl)-ethanone | 4 inverted exclamation mark -Chloro-3 inverted exclamation mark -methylac

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488190535
• Sorrisi canonici: CC1=C(C=CC(=C1)C(=O)C)Cl
• IUPAC Name: 1-(4-chloro-3-methylphenyl)ethanone
• InChIKey: XOIGZLJCLDWTQH-UHFFFAOYSA-N
• INCHI: 1S/C9H9ClO/c1-6-5-8(7(2)11)3-4-9(6)10/h3-5H,1-2H3
• Isomeri SMILES: CC1=C(C=CC(=C1)C(=O)C)Cl
• WGK Germania: 3
• Peso molecolare: 168.62
• Reaxy-Rn: 774639
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774639&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: Acetophenones Benzoyl derivatives Aryl alkyl ketones Toluenes Chlorobenzenes Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Benzoyl - Aryl alkyl ketone - Chlorobenzene - Toluene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - 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: 1.555
• Punto di infiammabilità (°F): >230 °F
• Punto di infiammabilità (°C): 110 °C
• Punto di ebollizione (°C): 104-105°C
• Peso molecolare: 168.620 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 168.034 Da
• Monoisotopic Mass: 168.034 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 156.000
• 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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 37074-39-8, the molecular formula is C9H9ClO, and the molecular weight is 168.62 g/mol. InChIKey XOIGZLJCLDWTQH-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.