4-Fluoro-3-(trifluoromethyl)aniline

HCID 75377CAS 2357-47-3

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Grundinformationen

Standard-SMILES: Nc1ccc(F)c(C(F)(F)F)c1
InChIKey: PGFQDLOMDIBAPY-UHFFFAOYSA-N
Summenformel: C7H5F4N
Durchschnittliche Molmasse: 179,11 g/mol
Monoisotopische Masse: 179,03581204

Namen und Bezeichner

Bevorzugter Name: 4-Fluoro-3-(trifluoromethyl)aniline
IUPAC: 4-fluoro-3-(trifluoromethyl)aniline
Englischer Name: 4-Fluoro-3-(trifluoromethyl)aniline
Summenformel: C7H5F4N
Molmasse: 179.11

Namen und Synonyme

4-Fluoro-3-(trifluoromethyl)aniline2357-47-35-Amino-2-fluorobenzotrifluorideBenzenamine, 4-fluoro-3-(trifluoromethyl)-3-Trifluoromethyl-4-fluoroanilinealpha,alpha,alpha,4-Tetrafluoro-m-toluidine4-Fluoro-3-(trifluoromethyl)benzenamineEINECS 219-095-7UNII-V5584X2CTLV5584X2CTL2-Fluoro-5-aminobenzotrifluoride3-amino-6-fluorobenzotrifluoride

Weitere Namen anzeigen

BUTTPARK 45\03-724-Fluoro-3-(trifluor2-Fluoro-5-aminotrifluoride5-Amino-2-Fluorobenzotrifluori3-TrifluoroMethyl-4-fluoroa...α,α,α,4-Tetrafluoro-m-toluidine5-AMINO-2-FLUOROBENZTRIFLUORIDE2-Fluoro-2-aminobenzotrifluoride

4-fluoro-3-trifluoromethylphenylamineNSC-10326alpha,alpha,alpha-4-Tetrafluoro-m-toluidineDTXSID1022184PGFQDLOMDIBAPY-UHFFFAOYSA-NSC 10326m-Toluidine, .alpha.,.alpha.,.alpha.,4-tetrafluoro-3-TRIFLUOROMETHYL-4-FLUOROPHENYLAMINE

Datenbank-Bezeichner

CAS: 2357-47-3
PubChem CID: 75377
DTXSID: DTXSID1022184
UNII: V5584X2CTL
EC Number: 219-095-7
Nikkaji: J149.966A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 156

Physikochemische Eigenschaften

Siedepunkt: 207 · 207-208 °C (lit.)
Dichte: 1.393 g/mL · 1.393 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.466(lit.)
Flammpunkt: 197 °F · 197 °F
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Oil
pka: 3.43 · 3.43±0.10(Predicted)
Farbe: Colourless
Wichte: 1.41 · 1.41
BRN: 641587 · 641587
InChI: InChI=1S/C7H5F4N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2
InChIKey: PGFQDLOMDIBAPY-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(F)C(C(F)(F)F)=C1
CAS Datenbank: 2357 · 2357-47-3(CAS DataBase Reference)
NIST chemische Informationen: 4 · Benzenamine, 4-fluoro-3-(trifluoromethyl)-(2357-47-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
ridadr: 2811
hs_code: 29214300
risk_code: 20/21/22-36/37/38-23-21/22
hazard_code: Xn,Xi,T
hazard_note: Irritant
safety_code: 26-36-45-36/37/39
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

Verwenden4-Fluoro-3-(trifluoromethyl)aniline was used in the synthesis of well-defined rod-coil block copolymers of trifluoromethylated poly(phenylene oxide).