Grundinformationen
- Standard-SMILES
Nc1cc(C(F)(F)F)ccc1F- InChIKey
DRKWGMXFFCPZLW-UHFFFAOYSA-N- Summenformel
- C7H5F4N
- Durchschnittliche Molmasse
- 179,11 g/mol
- Monoisotopische Masse
- 179,03581181
Namen und Bezeichner
- Bevorzugter Name
- 2-Fluoro-5-(trifluoromethyl)aniline
- IUPAC
- 2-fluoro-5-(trifluoromethyl)aniline
- Englischer Name
- 2-Fluoro-5-(trifluoromethyl)aniline
- Summenformel
- C7H5F4N
- Molmasse
- 179.11
Namen und Synonyme
2-Fluoro-5-(trifluoromethyl)anilineRefChem:472461626-503-0535-52-43-Amino-4-fluorobenzotrifluoridealpha,alpha,alpha,6-Tetrafluoro-m-toluidineMFCD000076532-Fluoro-5-trifluoromethylaniline2-fluoro-5-(trifluoromethyl)phenylamine.alpha.,.alpha.,.alpha.,6-Tetrafluoro-m-toluidineBenzenamine, 2-fluoro-5-(trifluoromethyl)-3-Amino-4-fluorobenzotrifluoride; NSC 10327; alpha,alpha,alpha,6-Tetrafluoro-m-toluidine
Weitere Namen anzeigen
uoro-5-(trifLα,α,α,6-Tetrafluoro-m-toluidine4-FLUORO-3-AMINOBENZOTRIFLUORIDE3－amino－4－fluorobentozrifluoride3-amino-4-fluoro bensotrifluoride3-Amino-4-fluorobenzotrifluoride97%3-Amino-4-fluorobenzotrifluoride 97%4-FLUORO-3-AMINOBENZOTRIFLUORIDE 97%
NSC103272-fluoro-5-(trifluoromethyl)benzenamineSCHEMBL3094792-fluoro-5-trifluoromethylanilina,a,a,6-Tetrafluoro-m-toluidineDTXSID802017102-fluoro-5-trifloromethyl aniline2-fluoro-5-trifluoromethyl aniline
Datenbank-Bezeichner
- CAS
535-52-4- PubChem CID
- 136349
- DTXSID
DTXSID80201710- EC Number
- 626-503-0
- Nikkaji
- J149.710C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 26 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 156
Physikochemische Eigenschaften
- Siedepunkt
- 155 °C · 155 °C (lit.)
- Dichte
- 1.378 g/mL · 1.378 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.461(lit.)
- Flammpunkt
- 158 °F · 158 °F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- Löslichkeit
- Chloroform, Methanol
- pka
- 1.98 · 1.98±0.10(Predicted)
- Aggregatzustand
- Oil
- Farbe
- Clear Colourless
- Wichte
- 1.378 · 1.378
- BRN
- 1950800 · 1950800
- InChI
- InChI=1S/C7H5F4N/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H,12H2
- InChIKey
- DRKWGMXFFCPZLW-UHFFFAOYSA-N
- SMILES
- C1(N)=CC(C(F)(F)F)=CC=C1F
- CAS Datenbank
- 535 · 535-52-4(CAS DataBase Reference)
- NIST chemische Informationen
- 6 · Alpha,alpha,alpha,6-tetrafluoro-m-toluidine(535-52-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (91.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (87%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 46 reports by companies from 5 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 CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (91.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (87%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN2810/6.1/II
- hs_code
- 29214200
- risk_code
- 20/21/22-36/37/38-23-21/22
- hazard_code
- Xn,Xi,T
- hazard_note
- Irritant
- safety_code
- 26-36/37-45-36/37/39
- hazard_class
- 6.1
- 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-Fluoro-5-(trifluoromethyl)aniline may be used in chemical synthesis studies.
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