Grundinformationen
- Standard-SMILES
Nc1c(F)cc(F)cc1F- InChIKey
BJSVKBGQDHUBHZ-UHFFFAOYSA-N- Summenformel
- C6H4F3N
- Durchschnittliche Molmasse
- 147,1 g/mol
- Monoisotopische Masse
- 147,02958379
Namen und Bezeichner
- Bevorzugter Name
- 2,4,6-Trifluoroaniline
- IUPAC
- 2,4,6-trifluoroaniline
- Lokaler Name
- 2,4,6-Trifluoranilin
- Englischer Name
- 2,4,6-Trifluoroaniline
- Summenformel
- C6H4F3N
- Molmasse
- 147.1
Namen und Synonyme
2,4,6-Trifluoroaniline363-81-52,4,6-TrifluorobenzenamineEINECS 206-660-8DTXSID80189842RefChem:442913DTXCID40112333206-660-82-Amino-1,3,5-trifluorobenzeneMFCD00007650Benzenamine, 2,4,6-trifluoro-2,4,6-trifluorophenylamine
Weitere Namen anzeigen
2,4,6-Trifluoroanili2,4,6-Trifluoroanilin2,4,6-trifluoroaniune2,4,6-Trifluoroaniline,98%2,4,6-TRIFLUOROANILINE, 97+%2,4,6-Trifluoroaniline ISO 9001:2015 REACH
2,4,6 trifluoroaniline2,4,6-tri-fluoroaniline2,4,6-trifluoro-aniline2, 4, 6-trifluoroaniline2,4,6-Trifluoro-phenylamineSCHEMBL113484SCHEMBL3016659SCHEMBL27812590
Datenbank-Bezeichner
- CAS
363-81-5- PubChem CID
- 67765
- DTXSID
DTXSID80189842- EC Number
- 206-660-8
- Nikkaji
- J41H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 26 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 108
Experimentelle und physikochemische Eigenschaften
LogP1.81
Physikochemische Eigenschaften
- Schmelzpunkt
- 33 · 33-37 °C (lit.)
- Siedepunkt
- 57 °C/22 · 57 °C/22 mmHg (lit.)
- Dichte
- 1.351 · 1.3510 (estimate)
- Flammpunkt
- 136 °F · 136 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 1.87 · 1.87±0.10(Predicted)
- Aggregatzustand
- powder to lump to clear liquid
- Farbe
- White or Colorless to Light yellow
- Wasserlöslichkeit
- Insoluble in water.
- BRN
- 2831022 · 2831022
- InChI
- InChI=1S/C6H4F3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
- InChIKey
- BJSVKBGQDHUBHZ-UHFFFAOYSA-N
- SMILES
- C1(N)=C(F)C=C(F)C=C1F
- CAS Datenbank
- 363 · 363-81-5(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · 2,4,6-Trifluoroaniline(363-81-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H228 (98%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesFlam. Sol. 2 (98%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 1325 4.1/PG 3
- hs_code
- 29214200
- risk_code
- 36/37-41-38-21/22-11-37/38
- hazard_code
- Xi,Xn,F
- hazard_note
- Irritant
- safety_code
- 26-39-36/37/39-16
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 4.1B - Flammable solid hazardous materials
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Flam. Sol. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden2,4,6-Trifluoroaniline was used in the synthesis of 3-nitro-2,4,6 -trifluoroacetanilide; eries of N-phenyl-N-(1- phenyl cyclopentyl)-methyl ureas and 4-substituted 2,6-difluoro N-aryl pyridinones.
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