1-Fluor-4-nitrobenzol
p-Fluoronitrobenzene
Grundinformationen
- CAS
350-46-9- Standard-SMILES
O=[N+]([O-])c1ccc(F)cc1- InChIKey
WFQDTOYDVUWQMS-UHFFFAOYSA-N- Summenformel
- C6H4FNO2
- Durchschnittliche Molmasse
- 141,1 g/mol
- Monoisotopische Masse
- 141,02260653
Namen und Bezeichner
- Bevorzugter Name
- p-Fluoronitrobenzene
- IUPAC
- 1-fluoro-4-nitrobenzene
- Lokaler Name
- 1-Fluor-4-nitrobenzol
- Englischer Name
- 4-Fluoronitrobenzene
- Summenformel
- C6H4FNO2
- Molmasse
- 141.1
Namen und Synonyme
p-FluoronitrobenzeneRefChem:4328404-Fluoronitrobenzene1-FLUORO-4-NITROBENZENE350-46-9p-Nitrofluorobenzene4-NitrofluorobenzeneBenzene, 1-fluoro-4-nitro-4-Fluoro-1-nitrobenzene1-Nitro-4-fluorobenzene178603-76-41-Fluoro-4-nitro-benzene
Weitere Namen anzeigen
4-FluornitrobenzolFluoro-4-nitrobenzFluoronitrobenzene3p-fluoromitrobenzene
MFCD000072824-nitro-1-fluorobenzeneNSC 10281para-fluoronitrobenzene1,4-FluoronitrobenzeneBenzene, 1-fluoro-4-nitro-, labeled with carbon-14 (9CI)A2M2FH7XHHNSC-10281
Datenbank-Bezeichner
- CAS
350-46-9- PubChem CID
- 9590
- DTXSID
DTXSID9022025- ChEMBL
CHEMBL163729- UNII
- A2M2FH7XHH
- EC Number
- 206-502-8
- Nikkaji
- J47.809A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 45,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 126
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Nitros, Aromatic
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.89
Density1.3300 @ 20 °C/4 °C
Color/FormYELLOW NEEDLES
SolubilitySOL IN ALCOHOL, ETHER; INSOL IN WATER
Boiling Point206-207 °C
Melting Point27 °C
Vapor Pressure0.29 [mmHg]
Refractive IndexMAX ABSORPTION (ALCOHOL): 212 NM (LOG E= 4.0); 263 NM (LOG E= 3.9); INDEX OF REFRACTION: 1.5316 @ 20 °C/D
Physical DescriptionYellow solid; [HSDB] Liquid or low melting solid; mp = 22-24 deg C; [MSDSonline]
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 1% (1 of 102) of reports.
Danger
H302 (88.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 102 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzene, 1-fluoro-4-nitro-
REACH registered substance: 1-fluoro-4-nitrobenzene (EC: 206-502-8)
1-Fluoro-4-nitrobenzene: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryEmergency treatment: Methemoglobinemia; [HSDB] An irritant; [MSDSonline]
Hazard Classes and CategoriesAcute Tox. 4 (88.2%)
Toxikologische Informationen
Ecotoxicity ValuesLC50 Pimephales promelas (fathead minnow) 28.4 mg/l 96 hr flow-through bioassay, wt 0.12 g, water hardness 45.5 mg/l CaCO3, temp: 25 +/- 1 °C, pH 7.5, dissolved oxygen greater than 60% of saturation
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Chemie und Industrie
Pharmakologische Informationen
Metabolism/MetabolitesYIELDS N-ACETYL-S-(P-NITROPHENYL)-L-CYSTEINE, P-FLUOROANILINE & P-NITROPHENOL IN RABBITS: BRAY & JAMES, BIOCHEM J 66: 45 (1957); BRAY ET AL, BIOCHEM J 68: 561 (1958). /FROM TABLE/
Verwendung und Herstellung
Uses
Used as a component in hair dyes; [HSDB]
Dressing Hair [Category: Other]
A COMPONENT OF HAIR DYES
General Manufacturing InformationBenzene, 1-fluoro-4-nitro-: ACTIVE
Anwendungen
Verwenden1-Fluoro-4-nitrobenzene used as a component of hair dyes, as pharmaceutical intermediates. It is also used for the preparation of novel soluble aromatic polyimides
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