2,4,5-Trifluoranilin

2,4,5-Trifluoroaniline

HCID 94953CAS 367-34-0

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Grundinformationen

Standard-SMILES: Nc1cc(F)c(F)cc1F
InChIKey: QMYVWJVVVMIBMM-UHFFFAOYSA-N
Summenformel: C6H4F3N
Durchschnittliche Molmasse: 147,1 g/mol
Monoisotopische Masse: 147,02958379

Namen und Bezeichner

Bevorzugter Name: 2,4,5-Trifluoroaniline
IUPAC: 2,4,5-trifluoroaniline
Lokaler Name: 2,4,5-Trifluoranilin
Englischer Name: 2,4,5-Trifluoroaniline
Summenformel: C6H4F3N
Molmasse: 147.1

Namen und Synonyme

2,4,5-Trifluoroaniline367-34-0Benzenamine, 2,4,5-trifluoro-EINECS 206-692-2QMYVWJVVVMIBMM-UHFFFAOYSA-AI3-52252DTXSID50190147NSC 10289RefChem:82024DTXCID60112638206-692-2InChI=1/C6H4F3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2

Weitere Namen anzeigen

2,4,5-Trifluoroanili2,4,5-tifluoroaniline2,4,5-trifluoroaniune2,4,5-Trifluoroaniline99%2,4,5-Trifluoroaniline,98%2,4,5-Trifluoroaniline 99%2,4,5-Trifluorobenzaniline

QMYVWJVVVMIBMM-UHFFFAOYSA-N2,4,5-trifluorophenylamine2,4,5-trifluorobenzenamineMFCD0000764984X2Y688WR2,4,5-trifloro anilineNSC-10289SCHEMBL11695

Datenbank-Bezeichner

CAS: 367-34-0
PubChem CID: 94953
DTXSID: DTXSID50190147
UNII: 84X2Y688WR
EC Number: 206-692-2
Nikkaji: J193.878I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 120

Physikochemische Eigenschaften

Schmelzpunkt: 59 · 59-63 °C(lit.)
Siedepunkt: 100.5 °C · 100.5°C (rough estimate)
Dichte: 1.351 · 1.3510 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 2.25 · 2.25±0.10(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: Beige
BRN: 2085734 · 2085734
InChI: InChI=1S/C6H4F3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2
InChIKey: QMYVWJVVVMIBMM-UHFFFAOYSA-N
SMILES: C1(N)=CC(F)=C(F)C=C1F
CAS Datenbank: 367 · 367-34-0(CAS DataBase Reference)

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 46 reports by companies from 5 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: 2941
hs_code: 29214200
risk_code: 20/21/22-36/37/38-41-38-21/22
hazard_code: Xn,Xi,T
hazard_note: Irritant
safety_code: 26-36-36/37/39
hazard_class: 6.1
packing_group: III

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2,4, 5-trifluoroaniline is a fluorinating reagent, mainly used as a raw material or intermediate in organic synthesis. It can react with acids to prepare 2,4, 5-trifluorophenacetic acid. It can also be used in the synthesis of agricultural chemicals, pharmaceuticals, dyes and special chemicals.