4-Fluor-3-nitroanilin

4-Fluoro-3-nitroaniline

HCID 67768CAS 364-76-1

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Grundinformationen

Standard-SMILES: Nc1ccc(F)c([N+](=O)[O-])c1
InChIKey: LLIOADBCFIXIEU-UHFFFAOYSA-N
Summenformel: C6H5FN2O2
Durchschnittliche Molmasse: 156,11 g/mol
Monoisotopische Masse: 156,03350562

Überblick

4-fluoro-3-nitroaniline is a nitroaniline and an organofluorine compound.

Namen und Bezeichner

Bevorzugter Name: 4-Fluoro-3-nitroaniline
IUPAC: 4-fluoro-3-nitroaniline
Lokaler Name: 4-Fluor-3-nitroanilin
Englischer Name: 4-Fluoro-3-nitroaniline
Summenformel: C6H5FN2O2
Molmasse: 156.11

Namen und Synonyme

4-Fluoro-3-nitroaniline364-76-13-Nitro-4-fluoroaniline4-Fluoro-3-nitrobenzenamineBenzenamine, 4-fluoro-3-nitro-DTXSID5052042R8DY9W4LRVNSC-10293DTXCID6030609CHEBI:48642RefChem:523234206-665-5

Weitere Namen anzeigen

5-AMINO-2-FLUORONITROBENZENE4-F-3NAuoro-3-nitroaniL4-Fluoro-3-nitroanil4-Fluor-3-nitroanilin4-fluoro-3-nitro-anilin4-Fluoro-3-phenylnitramine

4-Fluoro-3-nitro-anilineAniline, 4-fluoro-3-nitro-C6H5FN2O2MFCD000078333-nitro-4-fluoro aniline4-fluoro-3-nitro aniline4-fluoro-3-nitrophenylamineNSC 10293

Datenbank-Bezeichner

CAS: 364-76-1
PubChem CID: 67768
DTXSID: DTXSID5052042
ChEBI: CHEBI:48642
UNII: R8DY9W4LRV
EC Number: 206-665-5
Nikkaji: J60.428C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
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

Chemical ClassesNitrogen Compounds -> Nitroanilines

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physical DescriptionYellow or gold powder; [Alfa Aesar MSDS]

Ionization Efficiency · 6 Einträge

Positive

3.65

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Physikochemische Eigenschaften

Schmelzpunkt: 94 · 94-96 °C (lit.)
Siedepunkt: 331.3 · 331.3±22.0 °C(Predicted)
Dichte: 0.43 g/cm3 · 0.43 g/cm3 (20℃)
Flammpunkt: 196 °F · 196 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: Powder
pka: 2.36 · 2.36±0.10(Predicted)
Farbe: Ochre
Wasserlöslichkeit: Insoluble
BRN: 2210199 · 2210199
InChI: InChI=1S/C6H5FN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2
InChIKey: LLIOADBCFIXIEU-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(F)C([N+]([O-])=O)=C1
CAS Datenbank: 364 · 364-76-1(CAS DataBase Reference)
NIST chemische Informationen: 4 · Benzenamine, 4-fluoro-3-nitro-(364-76-1)
EPA chemische Informationen: 4 · 4-Fluoro-3-nitroaniline (364-76-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (95.9%): 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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information4-Fluoro-3-nitroaniline: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 Eintrag

Causes changes in bladder weight, change in clotting factors, and changes in erythrocyte count in 90-day intermittent oral studies of rats; [RTECS] A skin and strong eye irritant; Toxic by ingestion; May induce methemoglobinemia; [Alfa Aesar MSDS] See 4-Chloro-2-nitroaniline, 2-Chloro-5-nitroaniline, and 1-Amino-2-chloro-4-nitrobenzene.

Hazard Classes and CategoriesAcute Tox. 4 (95.9%)

Toxikologische Informationen

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

Toxicity DataLC50 (rat) > 200,000 mg/m3/1hr

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
ridadr: UN 1325 4.1/PG 2
hs_code: 29214210
RTECS-Nr.: BY1700000
risk_code: 20/21/22-36/37/38-22
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 36/37-37/39-26
hazard_class: 6.1(b)
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 2

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzenamine, 4-fluoro-3-nitro-: ACTIVE

Anwendungen

Verwenden4-Fluoro-3-nitroaniline is used in the preparation of commercial hair dyes. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals.