1-Fluornaphthalin

1-Fluoronaphthalene

HCID 9450CAS 321-38-0

Grundinformationen

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 Struktureigenschaften

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

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]

Physikochemische Eigenschaften

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

Sicherheit und Regulatorisches

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

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

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%.

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