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
Weitere Namen anzeigen
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
- Formalladung
- 0
- Komplexität
- 133
Experimentelle und physikochemische Eigenschaften
Physical Description
1-fluoronaphthalene appears as needles. (NTP, 1992)
CBI
Solid; [CAMEO] Colorless liquid; [Alfa Aesar MSDS]
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
- 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)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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
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
Reactivity Profile
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.
Sicherheit und Schutzausrüstung
First Aid
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
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.
Personal Protective Equipment (PPE)
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
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
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
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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