Grundinformationen
- Standard-SMILES
O=C(O)c1ccc(C(=O)c2ccc(C(=O)O)cc2)cc1- InChIKey
LFEWXDOYPCWFHR-UHFFFAOYSA-N- Summenformel
- C15H10O5
- Durchschnittliche Molmasse
- 270,24 g/mol
- Monoisotopische Masse
- 270,05282342
Namen und Bezeichner
- Bevorzugter Name
- Benzophenone-4,4'-dicarboxylic Acid
- IUPAC
- 4-(4-carboxybenzoyl)benzoic acid
- Englischer Name
- BENZOPHENONE-4,4'-DICARBOXYLIC ACID
- Summenformel
- C15H10O5
- Molmasse
- 270.24
Namen und Synonyme
Benzophenone-4,4'-dicarboxylic acidRefChem:566259678-034-64,4'-Carbonyldibenzoic Acid964-68-14-(4-carboxybenzoyl)benzoic acidMFCD00016538Oprea1_430654SCHEMBL69729Benzoic acid, 4,4'-carbonylbis-Benzophenone-4,4'-dicarboxylicacidFS-4859
Weitere Namen anzeigen
DK75094,4'-Carbonylbisbenzoic acid4,4'-Carbonylbis(benzoic acid)4,4'-benzophenonedicarboxylic acid4,4'-carbonyldibenzenemacetic acidBenzophenone-4,4'-dicarboxylicAcid>
B17414,4 inverted exclamation mark -Carbonyldibenzoic Acid4,4-Carbonyldibenzoic AcidYSWG0184,4'-DicarboxybenzBenzophenone-4/BP-4FT-06541564,4'-Dicarboxybenzophenone
Datenbank-Bezeichner
- CAS
964-68-1- PubChem CID
- 590830
- DTXSID
DTXSID00343601- EC Number
- 678-034-6
- Nikkaji
- J80.047C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 91,7 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 351
Physikochemische Eigenschaften
- Schmelzpunkt
- 365 °C · 365°C
- Siedepunkt
- 373.35 °C · 373.35°C (rough estimate)
- Dichte
- 1.328 · 1.3280 (rough estimate)
- Brechungsindex
- 1.5 · 1.5000 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- powder to crystal
- pka
- 3.37 · 3.37±0.10(Predicted)
- Farbe
- White to Light yellow to Green
- InChI
- InChI=1S/C15H10O5/c16-13(9-1-5-11(6-2-9)14(17)18)10-3-7-12(8-4-10)15(19)20/h1-8H,(H,17,18)(H,19,20)
- InChIKey
- LFEWXDOYPCWFHR-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(C=C1)C(O)=O)(C1=CC=C(C=C1)C(O)=O)=O
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- hs_code
- 29173990
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
Chemie und Industrie
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