Grundinformationen
- CAS
952-97-6- Standard-SMILES
O=[N+]([O-])c1ccc(Sc2ccccc2)cc1- InChIKey
RJCBYBQJVXVVKB-UHFFFAOYSA-N- Summenformel
- C12H9NO2S
- Durchschnittliche Molmasse
- 231,27 g/mol
- Monoisotopische Masse
- 231,0353997
Namen und Bezeichner
- Bevorzugter Name
- 4-Nitrophenyl phenyl sulfide
- IUPAC
- 1-nitro-4-phenylsulfanylbenzene
- Lokaler Name
- 4-Nitrophenylphenylsulfid
- Englischer Name
- 4-NITROPHENYL PHENYL SULFIDE
- Summenformel
- C12H9NO2S
- Molmasse
- 231.27
Namen und Synonyme
4-Nitrophenyl phenyl sulfide952-97-64-Nitrodiphenyl sulfide4-Nitrodiphenyl thioetherp-Nitrodiphenyl sulfide1-Nitro-4-(phenylthio)benzeneBenzene, 1-nitro-4-(phenylthio)-SULFIDE, p-NITROPHENYL PHENYLA6UNS7FMA7NSC-87341DTXSID50241784RefChem:100066
Weitere Namen anzeigen
TIMTEC-BB SBB008079p-nitrodiphenylsulfide4-(Phenylthio)nitrobenzenesulfide,p-nitrophenylphenyl
4-NO2TEDTXCID80164275213-462-5(4-Nitrophenyl)(phenyl)sulfane1-Nitro-4-(phenylsulfanyl)benzenep-Nitrophenyl phenyl sulfidePhenyl p-nitrophenylsulfide1-nitro-4-phenylsulfanylbenzene
Datenbank-Bezeichner
- CAS
952-97-6- PubChem CID
- 13720
- DTXSID
DTXSID50241784- UNII
- A6UNS7FMA7
- EC Number
- 213-462-5
- Nikkaji
- J49.535B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,4
- Polarare Oberfläche (TPSA)
- 71,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 228
Physikochemische Eigenschaften
- Schmelzpunkt
- 52 · 52-55 °C(lit.)
- Siedepunkt
- 288.2 °C · 288.2 °C(Press: 100 Torr)
- Dichte
- 1.284 · 1.2840 (rough estimate)
- Brechungsindex
- 1.55 · 1.5500 (estimate)
- Aggregatzustand
- crystalline solid
- Farbe
- Yellow to dark yellow
- CAS Datenbank
- 952 · 952-97-6(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29309090
- RTECS-Nr.
- WQ5620000
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
Chemie und Industrie
Anwendungen
Verwenden4-Nitrophenyl Phenyl Sulfide is used in photoinitiated cationic epoxide polymerizations.
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