Grundinformationen
- CAS
90-93-7- Standard-SMILES
CCN(CC)c1ccc(C(=O)c2ccc(N(CC)CC)cc2)cc1- InChIKey
VYHBFRJRBHMIQZ-UHFFFAOYSA-N- Summenformel
- C21H28N2O
- Durchschnittliche Molmasse
- 324,5 g/mol
- Monoisotopische Masse
- 324,22016352
Namen und Bezeichner
- Bevorzugter Name
- 4,4'-Bis(diethylamino)benzophenone
- IUPAC
- bis[4-(diethylamino)phenyl]methanone
- Lokaler Name
- 4,4'-Bis(diethylamino)benzophenon
- Englischer Name
- 4,4'-Bis(diethylamino) benzophenone
- Summenformel
- C21H28N2O
- Molmasse
- 324.46
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
90-93-7- PubChem CID
- 66663
- DTXSID
DTXSID7059014- EC Number
- 202-025-4
- Nikkaji
- J56.232G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,3
- Polarare Oberfläche (TPSA)
- 23,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 326
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 89 · 89-92 °C(lit.)
- Siedepunkt
- 475.7 · 475.7±30.0 °C(Predicted)
- Dichte
- 1.048 · 1.048±0.06 g/cm3(Predicted)
- Dampfdruck
- 0 Pa · 0Pa at 20℃
- Flammpunkt
- 151 °C · 151 °C
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 4.14 · 4.14±0.32(Predicted)
- Aggregatzustand
- Crystalline Granules
- Farbe
- Yellow to yellow-green
- PH
- 4 · 4-6 (50g/l, H2O, 20℃)
- Wasserlöslichkeit
- insoluble
- BRN
- 2148611 · 2148611
- InChI
- 1S/C21H28N2O/c1-5-22(6-2)19-13-9-17(10-14-19)21(24)18-11-15-20(16-12-18)23(7-3)8-4/h9-16H,5-8H2,1-4H3
- InChIKey
- VYHBFRJRBHMIQZ-UHFFFAOYSA-N
- SMILES
- CCN(C1=CC=C(C(C2=CC=C(N(CC)CC)C=C2)=O)C=C1)CC
- LogP
- 5.2 at · 5.2 at 35℃
- CAS Datenbank
- 90 · 90-93-7(CAS DataBase Reference)
- EPA chemische Informationen
- 4 · Methanone, bis[4-(diethylamino)phenyl]- (90-93-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 0.5% (1 of 191) of reports.
Warning
H315 (36.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 191 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Methanone, bis[4-(diethylamino)phenyl]-
Methanone, bis[4-(diethylamino)phenyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methanone, bis[4-(diethylamino)phenyl]- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Cease Manufacture Update: 22-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/27600
Michler ethylketone: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- F
- 8
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3077 9/PG 3
- hs_code
- 29223990
- RTECS-Nr.
- OS9545500
- risk_code
- 36/37/38-50/53
- Toxizität
- LD50 orally in Rabbit: 5000 mg/kg
- hazard_code
- Xi,N
- hazard_note
- Irritant
- safety_code
- 26-60-61-36-24/25
- hazard_class
- 9
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
Not Known or Reasonably Ascertainable
Methanone, bis[4-(diethylamino)phenyl]-: ACTIVE
Anwendungen
Beschreibung4,4'-Bis(diethylamino) benzophenone is a highly efficient type II free radical photoinitiator that can initiate polymerization of oligomers under ultraviolet light. In addition, tetraethyl Michler's ketone is also an intermediate in the production of basic brilliant blue dye BO and triphenylmethane chemicals.
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