α,α,α,4-Tetrafluor-o-toluidin

4-Fluoro-2-(trifluoromethyl)aniline

HCID 67853CAS 393-39-5

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Grundinformationen

Standard-SMILES: Nc1ccc(F)cc1C(F)(F)F
InChIKey: LRCQLCWUUBSUOY-UHFFFAOYSA-N
Summenformel: C7H5F4N
Durchschnittliche Molmasse: 179,11 g/mol
Monoisotopische Masse: 179,03581204

Überblick

4-fluoro-2-(trifluoromethyl)aniline is an organic molecular entity.

Namen und Bezeichner

Bevorzugter Name: 4-Fluoro-2-(trifluoromethyl)aniline
IUPAC: 4-fluoro-2-(trifluoromethyl)aniline
Lokaler Name: α,α,α,4-Tetrafluor-o-toluidin
Englischer Name: 2-Amino-5-fluorobenzotrifluoride
Summenformel: C7H5F4N
Molmasse: 179.11

Namen und Synonyme

4-Fluoro-2-(trifluoromethyl)aniline393-39-5Benzenamine, 4-fluoro-2-(trifluoromethyl)-alpha,alpha,alpha,4-Tetrafluoro-o-toluidineNSC-10325T5T8A7TV37RefChem:1070669206-886-72-Amino-5-fluorobenzotrifluorideMFCD000078314-Fluoro-2-trifluoromethyl-phenylamine4-Fluoro-2-trifluoromethylaniline

Weitere Namen anzeigen

2-Amino-5-fluorobenz4-Fluoro-2-(Trifluoromethyl)anα,α,α,4-Tetrafluoro-o-toluidine5-FLUORO-2-AMINOBENZOTRIFLUORIDE2-Amino-5-fluorobenzotrifluoride99%2-(Trifluoromethyl)-4-fluoroaniline2-Amino-5-fluorobenzotrifluoride 99%2-Amino-5-fluorobenzotrifluoride >

NSC103254-Fluoro-2-(trifluoromethyl)benzenamine4-fluoro-2-(trifluoromethyl)-anilineBP-11269EN300-682314-fluoro-2-(trifluoromethyl)phenylaminealpha,alpha,alpha-4-Tetrafluoro-o-toluidineEINECS 206-886-7

Datenbank-Bezeichner

CAS: 393-39-5
PubChem CID: 67853
DTXSID: DTXSID9022029
ChEBI: CHEBI:230764
UNII: T5T8A7TV37
EC Number: 206-886-7
Nikkaji: J149.712J

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: 70 · 70-72 °C17.5 mm Hg(lit.)
Dichte: 1.38 g/mL · 1.38 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.464(lit.)
Flammpunkt: 162 °F · 162 °F
storage temp.: 2 · 2-8°C
pka: 1.52 · 1.52±0.10(Predicted)
Aggregatzustand: clear liquid
Farbe: Colorless to Yellow to Orange
Wichte: 1.38 · 1.380
BRN: 2098758 · 2098758
InChI: 1S/C7H5F4N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2
InChIKey: LRCQLCWUUBSUOY-UHFFFAOYSA-N
SMILES: Nc1ccc(F)cc1C(F)(F)F
CAS Datenbank: 393 · 393-39-5(CAS DataBase Reference)
NIST chemische Informationen: 4 · Benzenamine, 4-fluoro-2-(trifluoromethyl)-(393-39-5)
EPA chemische Informationen: 4 · 4-Fluoro-2-(trifluoromethyl)aniline (393-39-5)

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 48 reports by companies from 8 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
hs_code: 29039990
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-36
hazard_class: 6.1
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden4-Fluoro-2-(trifluoromethyl)aniline was used in the preparation of 2-[4-(3-bromophenyl)-7-chloro-6-methyl-2-oxo-2H-chromen-3-yl]-N-[4-fluoro-2-(trifluoro-methyl)phenyl]acetamide.