4,4'-Dimethoxybenzophenon

4,4'-Dimethoxybenzophenone

HCID 7032

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Grundinformationen

CAS: 90-96-0
Standard-SMILES: COc1ccc(C(=O)c2ccc(OC)cc2)cc1
InChIKey: RFVHVYKVRGKLNK-UHFFFAOYSA-N
Summenformel: C15H14O3
Durchschnittliche Molmasse: 242,27 g/mol
Monoisotopische Masse: 242,09429431

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 4,4'-Dimethoxybenzophenone
IUPAC: bis(4-methoxyphenyl)methanone
Lokaler Name: 4,4'-Dimethoxybenzophenon
Englischer Name: 4,4'-Dimethoxybenzophenone
Summenformel: C15H14O3
Molmasse: 242.27

Namen und Synonyme

4,4'-Dimethoxybenzophenone90-96-0XM6ZQ9ZM6ENSC-4191DTXSID50237985RefChem:96264DTXCID00160476202-028-0Bis(4-methoxyphenyl)methanoneMFCD00008404Methanone, bis(4-methoxyphenyl)-P,P'-DIMETHOXYBENZOPHENONE

Weitere Namen anzeigen

4,4-DimethoxybenzopLABOTEST-BB LT00160175Di(4-methoxyphenyl) ketone

4,4 inverted exclamation mark -DimethoxybenzophenoneDmbpDi-p-anisyl ketoneBenzophenone, 4,4'-dimethoxy-Bis(p-methoxy)benzophenonedi4-methoxyphenyl ketoneBis(p-anisyl) ketoneBis(4-anisyl) ketone

Datenbank-Bezeichner

CAS: 90-96-0
PubChem CID: 7032
DTXSID: DTXSID50237985
ChEMBL: CHEMBL2413410
UNII: XM6ZQ9ZM6E
EC Number: 202-028-0
Nikkaji: J42.325D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,6
Polarare Oberfläche (TPSA): 35,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 18
Formalladung: 0
Komplexität: 235

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physikochemische Eigenschaften

Schmelzpunkt: 141 · 141-143 °C (lit.)
Siedepunkt: 200 °C17 · 200 °C17 mm Hg(lit.)
Dichte: 1.1515 · 1.1515 (rough estimate)
Brechungsindex: 1.557 · 1.5570 (estimate)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand: Powder
Farbe: Slightly beige to yellow
Wasserlöslichkeit: It is insoluble in water, soluble in ethanol.
BRN: 1878026 · 1878026
InChI: InChI=1S/C15H14O3/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10H,1-2H3
InChIKey: RFVHVYKVRGKLNK-UHFFFAOYSA-N
SMILES: C(C1=CC=C(OC)C=C1)(C1=CC=C(OC)C=C1)=O
CAS Datenbank: 90 · 90-96-0(CAS DataBase Reference)
NIST chemische Informationen: P,p'-dimethoxybenzophenone(90-96-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Methanone, bis(4-methoxyphenyl)-

4,4'-Dimethoxybenzophenone: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29145000
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

Verwenden4,4'-Dimethoxybenzophenone is used in the organic synthesis. It also acts as a pharmaceutical intermediate. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff.

Darstellung

synthetischebtained by photocatalytic oxidation of 4,4–′-dimethoxybenzhydrol (m.p. 69–71°) catalyzed by H3PW12O40/SiO2 in acetonitrile under oxygen atmosphere at r.t. for 1 h (90%).