4,4'-Dichlorobenzophenone（4,4′-DBP） - ≥99% , CAS No.90-98-2

CAS: 90-98-2 Cat. No.: D109453 Summenformel: C₁₃H₈Cl₂O Molekulargewicht: 251.11 Beilstein Registry Number: 643345 EG-Nummer: 202-030-1

GRADE & PURITY ≥99%

Synonyms

Q4637048 | 4-4-Dichlorobenzophenone | W-100319 | DCBP | SCHEMBL51827 | MFCD00000623 | 4,4'-Dichlorobenzophenone (DBP) | DTXCID1017626 | NSC 8787 | 4,4'-Dichlorobenzophenone | 4,4'-dichloro-benzophenone | 4,4'-DBP, PESTANAL(R), analytical standard | DBP (V

Storage

Room temperature

Shipped In

Normal

Übersicht

4,4′-Dichlorobenzophenone (DBP) is a metabolite obtained when one strain of ectomycorrhizal fungi, Xerocomus chrysenteron, degrades 1,1,1-trichloro-2,2-bis(4-chlorophe-nyl) ethane (DDT).

Specifications

Synonyme

Q4637048 | 4-4-Dichlorobenzophenone | W-100319 | DCBP | SCHEMBL51827 | MFCD00000623 | 4,4'-Dichlorobenzophenone (DBP) | DTXCID1017626 | NSC 8787 | 4,4'-Dichlorobenzophenone | 4,4'-dichloro-benzophenone | 4,4'-DBP, PESTANAL(R), analytical standard | DBP (V

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

488180253

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180253

Kanonisches Lächeln

C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)Cl

IUPAC Name

bis(4-chlorophenyl)methanone

InChIKey

OKISUZLXOYGIFP-UHFFFAOYSA-N

INCHI

1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H

Isomere SMILES

C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)Cl

WGK Deutschland

3

RTECS

DJ0525000

Molekulargewicht

251.11

Beilstein

643345

Reaxy-Rn

643345

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=643345&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 Benzoyl derivatives Chlorobenzenes Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzoyl - Aryl ketone - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Ketone - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - 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: monochlorobenzenes - chlorobenzophenone

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

• Siedepunkt (°C): 353°C
• Schmelzpunkt (°C): 144-147°C
• Molekulargewicht: 251.100 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 249.995 Da
• Monoisotopic Mass: 249.995 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 214.000
• 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