Grundinformationen
- Standard-SMILES
NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
DHVHORCFFOSRBP-UHFFFAOYSA-N- Summenformel
- C9H7F6N
- Durchschnittliche Molmasse
- 243,15 g/mol
- Monoisotopische Masse
- 243,04826854
Namen und Bezeichner
- Bevorzugter Name
- 3,5-Bis(trifluoromethyl)benzylamine
- IUPAC
- [3,5-bis(trifluoromethyl)phenyl]methanamine
- Englischer Name
- 3,5-Bis(trifluoromethyl)benzylamine
- Summenformel
- C9H7F6N
- Molmasse
- 243.15
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
85068-29-7- PubChem CID
- 521099
- DTXSID
DTXSID70234133- UNII
- W9RP2724XX
- EC Number
- 285-290-9
- Nikkaji
- J309.646G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 26 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 211
Physikochemische Eigenschaften
- Schmelzpunkt
- 50 · 50-55 °C(lit.)
- Siedepunkt
- 82 · 82-84 °C (15 mmHg)
- Dichte
- 1.3653 · 1.3653 (estimate)
- Flammpunkt
- 173 °F · 173 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- Crystalline Mass, Powder, Crystals and/or Chunks
- pka
- 8.32 · 8.32±0.10(Predicted)
- Farbe
- White to beige
- BRN
- 7209267 · 7209267
- InChI
- 1S/C9H7F6N/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3H,4,16H2
- InChIKey
- DHVHORCFFOSRBP-UHFFFAOYSA-N
- SMILES
- NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
- CAS Datenbank
- 85068 · 85068-29-7(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H314 (98%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
H401: Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Hazard Classes and Categories
Skin Corr. 1B (98%)
Hazardous to the aquatic environment (Acute) - Category 2
Hazardous to the aquatic environment (Acute) - Category 2
Sicherheitsdaten
- F
- 10-34
- wgk
- 3
- ridadr
- UN 3259 8/PG 2
- hs_code
- 29214990
- risk_code
- 34-21/22
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
Chemie und Industrie
Anwendungen
Verwenden3,5-bis(Trifluoromethyl)benzylamine is used in preparation of nitrile by catalytic oxidation of amines.
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