Grundinformationen
- CAS
369-68-6- Standard-SMILES
Nc1cccc(SC(F)(F)F)c1- InChIKey
DENPAKQJZNDKEL-UHFFFAOYSA-N- Summenformel
- C7H6F3NS
- Durchschnittliche Molmasse
- 193,19 g/mol
- Monoisotopische Masse
- 193,01730485
Namen und Bezeichner
- Bevorzugter Name
- 3-((Trifluoromethyl)thio)aniline
- IUPAC
- 3-(trifluoromethylsulfanyl)aniline
- Lokaler Name
- 3-[(Trifluormethyl)thio]anilin
- Englischer Name
- 3-(TRIFLUOROMETHYLTHIO)ANILINE
- Summenformel
- C7H6F3NS
- Molmasse
- 193.19
Namen und Synonyme
3-((Trifluoromethyl)thio)aniline3-[(trifluoromethyl)thio]anilineEINECS 206-722-4Benzeneamine, 3-[(trifluoromethyl)thio]-Benzeneamine, 3-((trifluoromethyl)thio)-RefChem:489013206-722-43-(TRIFLUOROMETHYLTHIO)ANILINE369-68-63-[(trifluoromethyl)sulfanyl]aniline3-Aminophenyl trifluoromethyl sulphide3-(trifluoromethylsulfanyl)aniline
Weitere Namen anzeigen
BUTTPARK 44\10-213-Aminophenyl trifluoromeM-TRIFLUOROMETHYLTHIOANILINE3-(Trifluoromethylthio)aniline, 97+%3-[(Trifluoromethyl)thio]benzenamine3-[(Trifluoromethyl)thio]aniline 96%3-AMINOPHENYL TIRFLUOROMETHYL SULFIDE
MFCD001901303-Aminophenyl trifluoromethyl sulfide3-(trifluoromethylthio)phenylamineBenzenamine, 3-[(trifluoromethyl)thio]-3-[(Trifluoromethyl)sulphanyl]anilineBenzenamine,3-[(trifluoromethyl)thio]SCHEMBL6567963- Trifluoromethylthio aniline
Datenbank-Bezeichner
- CAS
369-68-6- PubChem CID
- 2735939
- DTXSID
DTXSID9073171- EC Number
- 206-722-4
- Nikkaji
- J213.559K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 51,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 148
Physikochemische Eigenschaften
- Siedepunkt
- 221 · 221-224°C
- Dichte
- 1 · 1,342 g/cm3
- Brechungsindex
- 1.522 · 1.522
- Flammpunkt
- 103 °C · 103°C
- storage temp.
- 2 · 2-8°C
- pka
- 3.28 · 3.28±0.10(Predicted)
- Aggregatzustand
- liquid
- Farbe
- Clear, yellow
- Wichte
- 1.342 · 1.342
- Wasserlöslichkeit
- Immiscible with water.
- CAS Datenbank
- 369 · 369-68-6(CAS DataBase Reference)
- EPA chemische Informationen
- 3 · Benzeneamine, 3-[(trifluoromethyl)thio]- (369-68-6)
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
Danger
H302 (95.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (95.6%)
Sicherheitsdaten
- ridadr
- 2810
- hs_code
- 2930909899
- risk_code
- 20/21/22-36/37/38
- hazard_code
- T,Xn
- hazard_note
- Toxic
- safety_code
- 23-36/37/39-36/37-26
- hazard_class
- 6.1
- packing_group
- III
Chemie und Industrie
Anwendungen
Verwenden3-(Trifluoromethylthio)aniline is used as an intermediate in organic synthesis. It is also involved in the regioselective Friedel-Crafts alkylation in hexafluoroacetone sesquihydrate.
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