2,3,4,5,6-Pentafluoranilin

Pentafluoroaniline

HCID 13040CAS 771-60-8

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Grundinformationen

Standard-SMILES: Nc1c(F)c(F)c(F)c(F)c1F
InChIKey: NOXLGCOSAFGMDV-UHFFFAOYSA-N
Summenformel: C6H2F5N
Durchschnittliche Molmasse: 183,08 g/mol
Monoisotopische Masse: 183,01074016

Überblick

structure given in first source

Namen und Bezeichner

Bevorzugter Name: Pentafluoroaniline
IUPAC: 2,3,4,5,6-pentafluoroaniline
Lokaler Name: 2,3,4,5,6-Pentafluoranilin
Englischer Name: 2,3,4,5,6-Pentafluoroaniline
Summenformel: C6H2F5N
Molmasse: 183.08

Namen und Synonyme

2,3,4,5,6-PENTAFLUOROANILINE771-60-8PentafluoroanilinePentafluorophenylamineAminopentafluorobenzeneAniline, 2,3,4,5,6-pentafluoro-MS06IL3Y2QNSC-88320DTXSID8022119RefChem:441630DTXCID302119PFPAT pentafluorophenylammonium triflate

Weitere Namen anzeigen

PerfluoroanilinePENTAFLUORANILINE2,3,4,5,6-PentafluorPentafluorobenzenaminPentafluoroaniline>PentafluorophenylaminePentafluoroaniline 99%Pentafluoroaniline,99%pentafluronitrobenzene

212-234-22,3,4,5,6-pentafluorophenylammonium triflateBenzenamine, 2,3,4,5,6-pentafluoro-2,3,4,5,6-PentafluorobenzenamineMFCD000076432,3,4,5,6-pentafluorophenylamine1-Amino-2,3,4,5,6-pentafluorobenzene(pentafluorophenyl)amine

Datenbank-Bezeichner

CAS: 771-60-8
PubChem CID: 13040
DTXSID: DTXSID8022119
UNII: MS06IL3Y2Q
EC Number: 212-234-2
Nikkaji: J1.734E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 150

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesFusion temperature

Physikochemische Eigenschaften

Schmelzpunkt: 33 · 33-35 °C (lit.)
Siedepunkt: 153 °C · 153 °C (lit.)
Dichte: 1 · 1,744 g/cm3
Flammpunkt: 165 °F · 165 °F
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
Löslichkeit: toluene: soluble
Aggregatzustand: Crystalline Low Melting Solid
pka: -0.16 · -0.16±0.10(Predicted)
Farbe: White to salmon
Wasserlöslichkeit: Soluble in toluene, and organic solvents. Insoluble in water.
BRN: 1819387 · 1819387
InChI: 1S/C6H2F5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2
InChIKey: NOXLGCOSAFGMDV-UHFFFAOYSA-N
SMILES: Nc1c(F)c(F)c(F)c(F)c1F
CAS Datenbank: 771 · 771-60-8(CAS DataBase Reference)
NIST chemische Informationen: 2 · Benzenamine, 2,3,4,5,6-pentafluoro-(771-60-8)
EPA chemische Informationen: 2 · Benzenamine, 2,3,4,5,6-pentafluoro- (771-60-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (12%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (12%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29214210
RTECS-Nr.: BY7920000
risk_code: 36/37/38-22
Toxizität: LD50 ipr-rat: 390 mg/kg IZSBAI 3,91,65
hazard_code: Xi,Xn
safety_code: 26-36-36/37/39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzenamine, 2,3,4,5,6-pentafluoro-: INACTIVE

Anwendungen · 1 Eintrag

Verwenden2,3,4,5,6-Pentafluoroaniline finds it uses in the preparation of pentafluorophenylammonium triflate, an efficient catalyst for esterification and thioesterification. It is also used in the synthesis of various titanium complexes having two anionic [N, O-] bidentate salicylaldiminato ligands.