2,4'-Dimethoxybenzophenone - ≥98%(GC) , CAS No.5449-69-4

CAS: 5449-69-4 Cat. No.: D155565 Summenformel: C₁₅H₁₄O₃ Molekulargewicht: 242.27 Beilstein Registry Number: 1315 EG-Nummer: 680-067-6

GRADE & PURITY ≥98%(GC)

Synonyms

D2890 | AKOS009348208 | DTXSID50280330 | A830215 | NSC16417 | NSC-16417 | AS-65821 | CHEMPACIFIC39947 | SCHEMBL1682193 | 4,2'-DIMETHOXYBENZOPHENONE | FT-0635723 | QWWJLMQOKZOTNX-UHFFFAOYSA-N | T71043 | 2,4'-Dimethoxybenzophenone | MFCD01311508 | (2-methox

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

D2890 | AKOS009348208 | DTXSID50280330 | A830215 | NSC16417 | NSC-16417 | AS-65821 | CHEMPACIFIC39947 | SCHEMBL1682193 | 4,2'-DIMETHOXYBENZOPHENONE | FT-0635723 | QWWJLMQOKZOTNX-UHFFFAOYSA-N | T71043 | 2,4'-Dimethoxybenzophenone | MFCD01311508 | (2-methox

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Kanonisches Lächeln: COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2OC
• IUPAC Name: (2-methoxyphenyl)-(4-methoxyphenyl)methanone
• InChIKey: QWWJLMQOKZOTNX-UHFFFAOYSA-N
• INCHI: 1S/C15H14O3/c1-17-12-9-7-11(8-10-12)15(16)13-5-3-4-6-14(13)18-2/h3-10H,1-2H3
• Isomere SMILES: COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2OC
• Molekulargewicht: 242.27
• Beilstein: 1315
• Reaxy-Rn: 2053106
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2053106&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Phenoxy compound - Anisole - Methoxybenzene - Aryl ketone - Phenol ether - Benzoyl - Alkyl aryl ether - Ketone - Ether - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

• Schmelzpunkt (°C): 98 °C
• Molekulargewicht: 242.270 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 242.094 Da
• Monoisotopic Mass: 242.094 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 269.000
• 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