4-Chloro-3′,4′-dimethoxybenzophenone - ≥98% , CAS No.116412-83-0

CAS: 116412-83-0 Cat. No.: C353676 Summenformel: C₁₅H₁₃ClO₃ Molekulargewicht: 276.72 EG-Nummer: 404-610-1

GRADE & PURITY ≥98%

Synonyms

4-Chloro-3 inverted exclamation mark ,4 inverted exclamation mark -dimethoxybenzophenone | SCHEMBL6839373 | FT-0742190 | (4-Chloro-phenyl)-(3,4-dimethoxy-phenyl)-methanone | (4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone | (4-Chlorophenyl)(3,4-dimethoxyp

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

4-Chloro-3 inverted exclamation mark ,4 inverted exclamation mark -dimethoxybenzophenone | SCHEMBL6839373 | FT-0742190 | (4-Chloro-phenyl)-(3,4-dimethoxy-phenyl)-methanone | (4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone | (4-Chlorophenyl)(3,4-dimethoxyp

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488191490
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191490
• Kanonisches Lächeln: COC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)Cl)OC
• IUPAC Name: (4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone
• InChIKey: MLLIIHAKTPXMFF-UHFFFAOYSA-N
• INCHI: 1S/C15H13ClO3/c1-18-13-8-5-11(9-14(13)19-2)15(17)10-3-6-12(16)7-4-10/h3-9H,1-2H3
• Isomere SMILES: COC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)Cl)OC
• Molekulargewicht: 276.72
• Reaxy-Rn: 9852218
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9852218&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 Dimethoxybenzenes Phenoxy compounds Benzoyl derivatives Anisoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Aryl ketone - Methoxybenzene - Halobenzene - Chlorobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Ketone - Ether - Organochloride - Organohalogen compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Brechungsindex: n20D1.57 (Predicted)
• Siedepunkt (°C): ~414.5° C at 760 mmHg (Predicted)
• Schmelzpunkt (°C): 127.28° C (Predicted)
• Molekulargewicht: 276.710 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 276.055 Da
• Monoisotopic Mass: 276.055 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 300.000
• 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