StartseiteMCPWorkbenchSkills
StartseiteWorkbenchBenachrichtigungenMein Bereich
llms.txt · MCP-AnleitungDatenschutz · Nutzungsbedingungen · Supportv1.8.0
  1. Startseite
  2. /Verbindung

1-Fluornaphthalin

1-Fluoronaphthalene

HCID 9450
Neue NotizNeue ReaktionAnfrage stellen
Druckvorschau

Daten werden ergänzt – lade die Seite später neu, um den aktuellen Stand zu sehen

GrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

CAS
321-38-0
Standard-SMILES
Fc1cccc2ccccc12
InChIKey
CWLKTJOTWITYSI-UHFFFAOYSA-N
Summenformel
C10H7F
Durchschnittliche Molmasse
146,16 g/mol
Monoisotopische Masse
146,05317844

Überblick

1-fluoronaphthalene appears as needles. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
1-Fluoronaphthalene
IUPAC
1-fluoronaphthalene
Lokaler Name
1-Fluornaphthalin
Englischer Name
1-Fluoronaphthalene
Summenformel
C10H7F
Molmasse
146.16

Namen und Synonyme

1-FLUORONAPHTHALENE321-38-0Naphthalene, 1-fluoro-alpha-Fluoronaphthalene0920702UT7NSC-4690DTXSID7059808RefChem:75827DTXCID1038454206-287-0Fluoronaphthalene.alpha.-Fluoronaphthalene
Weitere Namen anzeigen
48720-uuoronaphthaLDuloxetine-81-FluoronaphthFluorophthalene
Duloxetine EP Impurity G1-fluoro naphthalene1-FluornaftalenDuloxetine IMpurity GNSC 46901-fluoronapthaleneEINECS 206-287-01-fluoro-naphtalene

Datenbank-Bezeichner

CAS
321-38-0
PubChem CID
9450
DTXSID
DTXSID7059808
UNII
0920702UT7
EC Number
206-287-0
Nikkaji
J9.228B

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
3,7
Polarare Oberfläche (TPSA)
0 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
11
Formalladung
0
Komplexität
133

Experimentelle und physikochemische Eigenschaften

PolymersOther Classes -> Halogenated Polyaromatics
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Density1.1322 at 68 °F (NTP, 1992) - Denser than water; will sink
Boiling Point419 °F at 756 mmHg (NTP, 1992)
Melting Point16 °F (NTP, 1992)
Vapor Pressure0.09 [mmHg]
Physical Description · 3 Einträge

1-fluoronaphthalene appears as needles. (NTP, 1992)

CBI

Solid; [CAMEO] Colorless liquid; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
-13 °C · -13 °C (lit.)
Siedepunkt

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 · 5 Einträge

This chemical does not meet GHS hazard criteria for 5.5% (3 of 55) of reports.

Warning

H315 (94.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Naphthalene, 1-fluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Naphthalene, 1-fluoro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 05-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18128

DOT LabelPoison
Fire HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Naphthalene.
Reactive GroupFluorinated Organic Compounds
Reactivity Profile · 1 Eintrag

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: <50,000 lb
Industry UsesNot Known or Reasonably Ascertainable
General Manufacturing Information · 2 Einträge

All Other Basic Organic Chemical Manufacturing

Naphthalene, 1-fluoro-: ACTIVE

Anwendungen

Verwenden1-Fluoronaphthalene is a fluorinated naphthalene derivative that is metabolized by fungal monooxygenase-epoxide hydrolase. It is also used as a pharmaceutical intermediate. It is Duloxetine impurity.

Darstellung · 1 Eintrag

synthetischeThe preparation of 1-Fluoronaphthalene is as follows:1) Diazotization reaction: 1500 g of hydrochloric acid (mass concentration: 25%) and 300 g of naphthylamine were added to a 3000 mL three-necked flask, stirred and heated to 75 ° C to dissolve, and the temperature was lowered to below 5 ° C, and 148 g was slowly added at this temperature. Sodium nitrite, stirred at low temperature for 0.3 hours after the addition, to obtain a diazonium salt solution;2) Substitution reaction: 360 g of fluoroboric acid solution (concentration: 45%) was added to the resulting solution obtained in the step 1), stirred for 0.25 h, filtered, and the filter cake was dried at a temperature of 50 ° C for 0.2 h to obtain Dry naphthylamine diazonium salt fluoroborate double salt;3) Hot air decomposition: the dried diazonium salt fluoroborate double salt is slowly added to the reactor through which hot air (hot air temperature is 85-90 ° C), and the dried powdered naphthylamine diazonium salt fluoroborate double salt is The hot air blows up the dispersion and absorbs the heat for thermal decomposition to obtain a 1-fluoronaphthalene solution containing a small amount of solid impurities;4) Purification treatment: the 1-fluoronaphthalene solution obtained in the step 3) is first washed with pure water for 3 to 6 times, then neutralized with a soda ash to a pH of 6.8 to 7.2, and finally the oil layer is separated by filtration, and the filtrate is taken. The distillation treatment gave 210 g of a naphthalene-based fluorine-containing intermediate 1-fluoronaphthalene in an amount of 99.8%.

Zugehörige Reaktionen

45
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 8205
HRID 8205als Eduktuspto-grants-2006_08
Reaktionsgleichung von HRID 33577
HRID 33577als Eduktuspto-grants-2008_09
Reaktionsgleichung von HRID 41610
HRID 41610als Eduktuspto-grants-2013_09
Reaktionsgleichung von HRID 119168
HRID 119168als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 194635
HRID 194635als EduktTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaktionsgleichung von HRID 221180
HRID 221180als Eduktuspto-grants-2012_06
Reaktionsgleichung von HRID 222781
HRID 222781als Eduktuspto-grants-2012_06
Reaktionsgleichung von HRID 222782
HRID 222782als Eduktuspto-grants-2012_06
Seite 1 von 6

Notizen zur Verbindung

Wird geladen…

Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
Weitere Aktionen
Neue NotizNeue ReaktionAnfrage stellen
215 °C · 215 °C (lit.)
Dichte
1.1322 g/mL · 1.1322 g/mL at 20 °C (lit.)
Brechungsindex
20 · n20/D 1.593(lit.)
Flammpunkt
150 °F · 150 °F
storage temp.
Sealed in dry,Room Temperature
Löslichkeit
slightly soluble in water, well soluble in chloroform, ethyl acetate, and methanol.
Aggregatzustand
Oil
Farbe
Colourless to Yellow
Wichte
1.332 · 1.332
Wasserlöslichkeit
Not miscible or difficult to mix in water.
BRN
1906413 · 1906413
Stabilität
Stable. Incompatible with strong oxidizing agents.
InChI
1S/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKey
CWLKTJOTWITYSI-UHFFFAOYSA-N
SMILES
Fc1cccc2ccccc12
CAS Datenbank
321 · 321-38-0(CAS DataBase Reference)
NIST chemische Informationen
1 · Naphthalene, 1-fluoro-(321-38-0)
EPA chemische Informationen
1 · 1-Fluoronaphthalene (321-38-0)

Simple aromatic halogenated organic compounds, such as 1-FLUORONAPHTHALENE, are very unreactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group may be incompatible with strong oxidizing and reducing agents. Also, they may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (94.5%)

Sicherheit und Schutzausrüstung

Fire FightingA fire in your laboratory involving this chemical should be extinguished with a dry chemical, carbon dioxide or halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter.

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN2810
hs_code
29039990
RTECS-Nr.
QJ7100000
risk_code
36/37/38
hazard_code
Xi
hazard_note
Flammable
safety_code
26-36
hazard_class
IRRITANT
Speicherklasse
10 - Combustible liquids
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

4-Fluoronaphtalene-1-boronic acid2-(1-Fluoronaphthalen-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane(R)-N,N-dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amineDuloxetine3-Bromo-1-fluoronaphthalene(S)-(+)-N,N-Dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine2-(1-Naphthylene)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1-fluoro-2-iodonaphthalene4-Fluoronaphthalene-1-sulfonyl chloride(S)-N,N-Dimethyl-[3-(2-thienyl)-3-(1-naphthyloxy)propyl]amine--phosphoric acid (1:1)3-Bromo-1-fluoro-2-iodonaphthalene(S)-N,N-Dimethyl-[3-(2-thienyl)-3-(1-naphthyloxy)propyl]amine--phosphoric acid (1:1)Duloxetine Impurity 4