Grundinformationen
- Standard-SMILES
O=C(c1ccccc1)c1ccc(F)c(F)c1- InChIKey
ZJTYHSBOZAQQGF-UHFFFAOYSA-N- Summenformel
- C13H8F2O
- Durchschnittliche Molmasse
- 218,2 g/mol
- Monoisotopische Masse
- 218,05432132
Namen und Bezeichner
- Bevorzugter Name
- 3,4-Difluorobenzophenone
- IUPAC
- (3,4-difluorophenyl)-phenylmethanone
- Englischer Name
- 3,4-Difluorobenzophenone
- Summenformel
- C13H8F2O
- Molmasse
- 218.2
Namen und Synonyme
3,4-Difluorobenzophenone85118-07-6EINECS 285-659-4DTXSID80234245RefChem:486035DTXCID80156736285-659-4(3,4-Difluorophenyl)(phenyl)methanoneMFCD00009892(3,4-difluorophenyl)-phenylmethanoneMethanone, (3,4-difluorophenyl)phenyl-(3,4-Difluorophenyl)phenylmethanone
Weitere Namen anzeigen
3,4-Difluorobenzophenone98%3,4-Difluorobenzophenone>(3,4-Difluorophenyl)phenylmethanone(3,4-Difluorophenyl)(phenyl)methanone - [D89255]
3,4-difluorophenyl phenyl ketone(3,4-difluorophenyl)-phenyl-methanoneSCHEMBL332679SCHEMBL56849083,4-Difluorobenzophenone, 98%SBB067425AKOS005257890AC-1570
Datenbank-Bezeichner
- CAS
85118-07-6- PubChem CID
- 569908
- DTXSID
DTXSID80234245- EC Number
- 285-659-4
- Nikkaji
- J307.999F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,7
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 248
Physikochemische Eigenschaften
- Schmelzpunkt
- 53 · 53-55 °C(lit.)
- Siedepunkt
- 314.2 · 314.2±32.0 °C(Predicted)
- Dichte
- 1.2543 · 1.2543 (estimate)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- powder to crystal
- Farbe
- White to Light yellow to Light orange
- BRN
- 7808356 · 7808356
- InChI
- 1S/C13H8F2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8H
- InChIKey
- ZJTYHSBOZAQQGF-UHFFFAOYSA-N
- SMILES
- Fc1ccc(cc1F)C(=O)c2ccccc2
- CAS Datenbank
- 85118 · 85118-07-6(CAS DataBase Reference)
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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29147000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- IRRITANT
- Speicherklasse
- 13 - Non Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
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