Grundinformationen
- Standard-SMILES
Nc1cc(C(F)(F)F)ccc1C(F)(F)F- InChIKey
XWMVIJUAZAEWIE-UHFFFAOYSA-N- Summenformel
- C8H5F6N
- Durchschnittliche Molmasse
- 229,12 g/mol
- Monoisotopische Masse
- 229,03261814
Namen und Bezeichner
- Bevorzugter Name
- 2,5-Bis(trifluoromethyl)aniline
- IUPAC
- 2,5-bis(trifluoromethyl)aniline
- Englischer Name
- 2,5-Bis(trifluoromethyl)aniline
- Summenformel
- C8H5F6N
- Molmasse
- 229.12
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
328-93-8- PubChem CID
- 719818
- DTXSID
DTXSID00352132- EC Number
- 629-040-2
- Nikkaji
- J1.908.597J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 26 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 220
Physikochemische Eigenschaften
- Siedepunkt
- 70 · 70-71 °C15 mm Hg(lit.)
- Dichte
- 1.467 g/mL · 1.467 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.432(lit.)
- Flammpunkt
- 160 °F · 160 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- Aggregatzustand
- Oil
- pka
- 0.24 · 0.24±0.10(Predicted)
- Wichte
- 1.467 · 1.467
- Farbe
- Clear Colourless
- BRN
- 2653046 · 2653046
- InChI
- InChI=1S/C8H5F6N/c9-7(10,11)4-1-2-5(6(15)3-4)8(12,13)14/h1-3H,15H2
- InChIKey
- XWMVIJUAZAEWIE-UHFFFAOYSA-N
- SMILES
- C1(N)=CC(C(F)(F)F)=CC=C1C(F)(F)F
- CAS Datenbank
- 328 · 328-93-8(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (91.1%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (89.3%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (91.1%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (91.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (89.3%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (78.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H373 (10.7%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 13 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
Sicherheitsdaten
- wgk
- 3
- ridadr
- 2810
- hs_code
- 29214990
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn,T,Xi
- hazard_note
- Toxic/Irritant
- safety_code
- 26-36/37/39-45-36
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden2,5-Bis(trifluoromethyl)aniline is a haloalkul substituted aniline used in the preparation of anti-benign prostatic hyperplasia drug, Dutasteride (D735000).
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