1-Fluoronaphthalene

1-FLUORONAPTHALENE · Fluoronaphthalene · 1-Fluornaftalen · alpha-Fluoronaphthalene · 48720-u · NSC 4690 · uoronaphthaL · Duloxetine-8

https://huagongshe.com/ko/chemical/9450

식별자 및 물리적 특성

CAS No.	321-38-0
분자식	C10H7F
평균 분자량	146.16 g/mol
단동위원소 질량	146.05317844 g/mol
SMILES	Fc1cccc2ccccc12
InChIKey	CWLKTJOTWITYSI-UHFFFAOYSA-N
PubChem CID	9450
EC No.	206-287-0
DTXSID	DTXSID7059808

화학 및 물리적 성질

XLogP	3.7
극성 표면적	0
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	0
무거운 원자 수	11
형식 전하	0
복잡도	133
Polymers	Other Classes -> Halogenated Polyaromatics
SpringerMaterials Properties	13C nuclear magnetic resonance spectrum
밀도	1.1322 at 68 °F (NTP, 1992) - Denser than waterwill sink1.1322 g/mL at 20 °C (lit.)
끓는 점	419 °F at 756 mmHg (NTP, 1992)215 °C (lit.)
녹는점	16 °F (NTP, 1992)-13 °C (lit.)
증기압	0.09 [mmHg]
Physical Description	1-fluoronaphthalene appears as needles. (NTP, 1992)CBISolid[CAMEO] Colorless liquid[Alfa Aesar MSDS]
굴절률	n20/D 1.593(lit.)
인화점	150 °F
저장 조건	Sealed in dry,Room Temperature
용해도	물에 약간 용해되고 클로로포름, 에틸 아세테이트 및 메탄올에 잘 용해됩니다.
물리적 상태	기름
색상	무색~황색
비중	1.332
용해도	물에 섞이거나 혼합하기 어렵지 않습니다.
BRN	1906413
안정성	안정적인. 강한 산화제와 호환되지 않습니다.
InChI	1S/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKey	CWLKTJOTWITYSI-UHFFFAOYSA-N
SMILES	Fc1cccc2ccccc12
NIST	Naphthalene, 1-fluoro-(321-38-0)
EPA	1-Fluoronaphthalene (321-38-0)

화학적 성질

clear slightly yellow to yellow-brown liquid

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 5.5% (3 of 55) of reports.WarningH315 (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.
규제 정보	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
운송 라벨(DOT)	Poison
화재 위험	Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
건강 유해성	Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
유해성 요약	A skin and strong eye irritant[Alfa Aesar MSDS] See Naphthalene.
반응성 그룹	Fluorinated Organic Compounds
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.
Air and Water Reactions	Insoluble in water.
Hazard Classes and Categories	Skin Irrit. 2 (94.5%)
소화	A fire in your laboratory involving this chemical should be extinguished with a dry chemical, carbon dioxide or halon extinguisher. (NTP, 1992)

용도

1-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.

제조 및 합성 방법

제조 방법

The 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%.