1-Fluoronaphthalene (HCID 9450)

概要

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

名称と識別子

優先名称: 1-Fluoronaphthalene
IUPAC: 1-fluoronaphthalene
現地名: 1-フルオロナフタレン
英語名: 1-Fluoronaphthalene
分子式: C10H7F
分子量: 146.16

名称と別名

1-FLUORONAPHTHALENE321-38-0Naphthalene, 1-fluoro-alpha-Fluoronaphthalene0920702UT7NSC-4690DTXSID7059808RefChem:75827DTXCID1038454206-287-0Fluoronaphthalene.alpha.-Fluoronaphthalene

名称をさらに表示

1-フルオロナフタレンα-フルオロナフタレン1-フルオロナフタレン標準品1‐フルオロナフタレン標準品1-フルオロナフタレン, 2.0 mg/mL in CH2Cl2フルオロナフタレン48720-uuoronaphthaLDuloxetine-81-FluoronaphthFluorophthalene

Duloxetine EP Impurity G1-fluoro naphthalene1-FluornaftalenDuloxetine IMpurity GNSC 46901-fluoronapthaleneEINECS 206-287-01-fluoro-naphtalene

データベース識別子

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

物性

構造計算による物性

XLogP: 3.7
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 133

実験および物理化学的性質

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]

物理化学的性質

融点: -13 °C · -13 °C (lit.)
沸点: 215 °C · 215 °C (lit.)
比重(密度): 1.1322 g/mL · 1.1322 g/mL at 20 °C (lit.)
屈折率: 20 · n20/D 1.593(lit.)
闪点: 150 °F · 150 °F
貯蔵温度: Sealed in dry,Room Temperature
溶解性: クロロホルム、酢酸エチル、メタノール
外見: 油
色: 無色～黄色
比重: 1.332 · 1.332
水溶解度: 混和しないか、水に混ざりにくい。
BRN: 1906413 · 1906413
安定性: 安定。強力な酸化剤とは相容れない。
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 データベース: 321 · 321-38-0(CAS DataBase Reference)
NISTの化学物質情報: 1 · Naphthalene, 1-fluoro-(321-38-0)
EPAの化学物質情報: 1 · 1-Fluoronaphthalene (321-38-0)

化学的性質

化学的特性clear slightly yellow to yellow-brown liquid

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 2 件

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

安全と保護具

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 件

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 件

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 件

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.

安全データ

wgk: 3
tsca: TSCA listed
rtecs: QJ7100000
ridadr: UN2810
hs_code: 29039990
risk_code: 36/37/38
消防法: 危-4-2-III
hazard_code: Xi
hazard_note: Flammable
safety_code: 26-36
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

U.S. Production2023: <50,000 lb

Industry UsesNot Known or Reasonably Ascertainable

General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

Naphthalene, 1-fluoro-: ACTIVE

応用分野

用途有機合成原料。

使用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.

調製方法 · 1 件

製造方法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%.

上流・下流製品情報

下流製品

4-フルオロ-1-ナフタレンボロン酸 2-(1-フルオロナフタレン-4-イル)-4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン (R)-N,N-dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine デュロキセチン 3-ブロモ-1-フルオロナフタレンジメチル[(3S)-3-(1-ナフチルオキシ)-3-(2-チエニル)プロピル]アミン 4,4,5,5-テトラメチル-2-(1-ナフチル)-1,3,2-ジオキサボロラン 1-フルオロ-2-ヨードナフタレン 4-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)

サプライヤー50 社

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衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

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INTATRADE GmbH+49 3493/605464 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

1-フルオロナフタレン

基本情報

概要