4-Fluor-2-nitroanilin

4-Fluoro-2-nitroaniline

HCID 67769CAS 364-78-3

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Grundinformationen

Standard-SMILES: Nc1ccc(F)cc1[N+](=O)[O-]
InChIKey: PUGDHSSOXPHLPT-UHFFFAOYSA-N
Summenformel: C6H5FN2O2
Durchschnittliche Molmasse: 156,11 g/mol
Monoisotopische Masse: 156,03350562

Namen und Bezeichner

Bevorzugter Name: 4-Fluoro-2-nitroaniline
IUPAC: 4-fluoro-2-nitroaniline
Lokaler Name: 4-Fluor-2-nitroanilin
Englischer Name: 4-Fluoro-2-nitrobenzeneamine
Summenformel: C6H5FN2O2
Molmasse: 156.11

Namen und Synonyme

4-Fluoro-2-nitroaniline364-78-3Benzenamine, 4-fluoro-2-nitro-EINECS 206-666-0NSC 402980PUGDHSSOXPHLPT-UHFFFAOYSA-DTXSID20189922RefChem:98962DTXCID80112413206-666-0InChI=1/C6H5FN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2PUGDHSSOXPHLPT-UHFFFAOYSA-N

Weitere Namen anzeigen

uoro-2-nitroaniL4-Fluoro-2-nitrobenz4-fluoro-2-nitroanile4-Fluor-2-nitro-aniline4-Fluoro-2-nitroaniline97%4-Fluoro-2-nitroaniline>4-Fluoro-2-nitroaniline,98%

4-Fluoro-2-nitrobenzeneamine2-nitro-4-fluoroaniline4-FLUORO-2-NITROBENZENAMINE4-Fluoro-2-nitrophenylamine4-fluoro-2-nitro-anilineMFCD000078304-Fluoro-2-nitrioaniline4-Fluoro-2-nitro-phenylamine

Datenbank-Bezeichner

CAS: 364-78-3
PubChem CID: 67769
DTXSID: DTXSID20189922
ChEMBL: CHEMBL4556558
UNII: 3ETQ4SN24P
EC Number: 206-666-0
Nikkaji: J193.869J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 71,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 159

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties19F nuclear magnetic resonance spectrum

Physikochemische Eigenschaften

Schmelzpunkt: 90 · 90-94 °C (lit.)
Siedepunkt: 295.1 · 295.1±20.0 °C(Predicted)
Dichte: 1.3822 · 1.3822 (estimate)
Flammpunkt: 193 °F · 193 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: -0.11 · -0.11±0.10(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: Orange to brown
Wasserlöslichkeit: INSOLUBLE
BRN: 2210197 · 2210197
InChI: InChI=1S/C6H5FN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2
InChIKey: PUGDHSSOXPHLPT-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(F)C=C1[N+]([O-])=O
CAS Datenbank: 364 · 364-78-3(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4-Fluoro-2-nitroaniline(364-78-3)

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: 29214200
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-36/37-36/37/39
hazard_class: 6.1(b)
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-Fluoro-2-nitroaniline is used as a reagent in the preparation of 4-fluoro-o-phenylenediamine, 4-fluoro-N-ethyl-2-nitroaniline and N-(4-fluoro-2-nitrophenyl)-beta-alanine. It is also employed as a pharmaceutical intermediate. It acts as monodendate O-bonded ligand used in the coordination chemistry to form complexes with copper(II), nickel(II) and cobalt(II).