Grundinformationen
- Standard-SMILES
CC(=O)c1ccc(-c2ccc(C(C)=O)cc2)cc1- InChIKey
YSTSBXDVNKYPTR-UHFFFAOYSA-N- Summenformel
- C16H14O2
- Durchschnittliche Molmasse
- 238,28 g/mol
- Monoisotopische Masse
- 238,09937969
Namen und Bezeichner
- Bevorzugter Name
- 4,4'-Diacetylbiphenyl
- IUPAC
- 1-[4-(4-acetylphenyl)phenyl]ethanone
- Englischer Name
- 4,4'-Diacetylbiphenyl
- Summenformel
- C16H14O2
- Molmasse
- 238.28
Namen und Synonyme
4,4'-DiacetylbiphenylDTXSID80306719RefChem:506597DTXCID10257846625-368-5787-69-94,4-Diacetylbiphenyl1-[4-(4-acetylphenyl)phenyl]ethanone4',4''-BiacetophenoneMFCD000172484,4'-Diacetyl biphenyldiacetyl biphenyl
Weitere Namen anzeigen
BIS-ACETOPHENONE-Diacetylbiphenyl4'-Diacetylbiphenylp,p'-DiacetyldiphenylDaclatasvir Impurity-R4,4'-Diacetylbiphenyl>
1,1'-([1,1'-Biphenyl]-4,4'-diyl)diethanoneMaybridge1_002089CBMicro_005093Cambridge id 5107565Ethanone, 1,1'-[1,1'-biphenyl]-4,4'-diylbis-1-(4'-Acetyl[1,1'-biphenyl]-4-yl)ethanone1-acetyl-4-(4-acetylphenyl)benzene4,4''-Diacetylbiphenyl
Datenbank-Bezeichner
- CAS
787-69-9- PubChem CID
- 301558
- DTXSID
DTXSID80306719- EC Number
- 625-368-5
- Nikkaji
- J79.953J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,7
- Polarare Oberfläche (TPSA)
- 34,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 273
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesChemical structure
Physikochemische Eigenschaften
- Schmelzpunkt
- 193 · 193-195 °C(lit.)
- Siedepunkt
- 340.88 °C · 340.88°C (rough estimate)
- Dichte
- 1.0981 · 1.0981 (rough estimate)
- Brechungsindex
- 1.629 · 1.6290 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- soluble in Chloroform
- Aggregatzustand
- Crystalline Powder
- Farbe
- Colorless to light tan
- InChI
- InChI=1S/C16H14O2/c1-11(17)13-3-7-15(8-4-13)16-9-5-14(6-10-16)12(2)18/h3-10H,1-2H3
- InChIKey
- YSTSBXDVNKYPTR-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=C(C(=O)C)C=C2)=CC=C(C(=O)C)C=C1
- CAS Datenbank
- 787 · 787-69-9(CAS DataBase Reference)
- NIST chemische Informationen
- 4 · 4,4'-Diacetyl biphenyl(787-69-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (11.5%): 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 52 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (11.5%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3077 9/PG 3
- hs_code
- 29173990
- risk_code
- 50/53-36/37/38-20/21/22
- hazard_code
- N,Xi,Xn
- hazard_note
- Irritant
- safety_code
- 60-61-36/37/39-26-37/39-36
- hazard_class
- 9
- packing_group
- III
- Speicherklasse
- 13 - Non Combustible Solids
- Hazard Classifications
- Aquatic Acute 1
Chemie und Industrie
Anwendungen
VerwendenIntermediates of Liquid Crystals
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