4-Fluoroiodobenzene (HCID 9605)

名称と識別子

優先名称: 4-Fluoroiodobenzene
IUPAC: 1-fluoro-4-iodobenzene
現地名: 1-フルオロ-4-ヨードベンゼン
英語名: 1-Fluoro-4-iodobenzene
分子式: C6H4FI
分子量: 222

名称と別名

4-Fluoroiodobenzene1-FLUORO-4-IODOBENZENEp-FluoroiodobenzeneBenzene, 1-fluoro-4-iodo-4-fluoro-1-iodobenzene1-IODO-4-FLUOROBENZENEbenzene, 1-fluoro-4-iodoH2Z2C5X7RWNSC-10280DTXSID7059854RefChem:99025DTXCID0038960

名称をさらに表示

1-フルオロ-4-ヨードベンゼン1-ヨード-4-フルオロベンゼン4-フルオロ-1-ヨードベンゼンp-ヨードフルオロベンゼン4-ヨード-1-フルオロベンゼン4-フルオロフェニルヨージドp-フルオロヨードベンゼン4-フルオロヨードベンゼン1‐フルオロ‐4‐ヨードベンゼンP-フルオロヨ-ドベンゼン1-FLFluoroiodobenzeneuoro-4-iodobenzene4-fluoriodobenzeneFluorine iodobenzene

206-522-7InChI=1/C6H4FI/c7-5-1-3-6(8)4-2-5/h1-4KGNQDBQYEBMPFZ-UHFFFAOYSA-N352-34-14-Iodofluorobenzenep-IodofluorobenzeneMFCD000010524-Fluoro-iodobenzene

データベース識別子

CAS: 352-34-1
PubChem CID: 9605
DTXSID: DTXSID7059854
UNII: H2Z2C5X7RW
EC Number: 206-522-7
Nikkaji: J95.444F

物性

構造計算による物性

XLogP: 3.4
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: 8
形式電荷: 0
複雑度: 66

物理化学的性質

融点: -20 °C · -20 °C (lit.)
沸点: 182 · 182-184 °C (lit.)
比重(密度): 1.925 g/mL · 1.925 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.583(lit.)
闪点: 155 °F · 155 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: 液体
比重: 1.925 · 1.925
色: クリアイエロー
水溶解度: 水に不溶。
BRN: 1853970 · 1853970
Henry's Law Constant: 4.5 · 4.5×10-3 mol/(m3Pa) at 25℃, Ebert et al. (2023)
InChI: 1S/C6H4FI/c7-5-1-3-6(8)4-2-5/h1-4H
InChIKey: KGNQDBQYEBMPFZ-UHFFFAOYSA-N
SMILES: Fc1ccc(I)cc1
CAS データベース: 352 · 352-34-1(CAS DataBase Reference)
NISTの化学物質情報: 1 · Benzene, 1-fluoro-4-iodo-(352-34-1)
EPAの化学物質情報: p-Fluoroiodobenzene (352-34-1)

化学的性質

化学的特性colorless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN2810
hs_code: 29049090
risk_code: 36/37/38
安衛法: 57,57-2
消防法: 危-4-2-III
hazard_code: Xi
safety_code: 26-36-37/39-2637/39
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

General Manufacturing InformationBenzene, 1-fluoro-4-iodo-: ACTIVE

応用分野 · 3 件

説明4-[18F] Fluoroiodobenzene is a versatile building block in 18F radiochemistry and is used in various transition metal-mediated C-C and C-N cross-coupling reactions. Cross-coupling reaction of 4-fluoroiodobenzene with potassium pentafluorophenyltrifluoroborate in the presence of different palladium catalysts and silver oxide in toluene has been investigated.

使用suzuki reaction

一般的な説明4-[18F] Fluoroiodobenzene is a versatile building block in 18F radiochemistry and is used in various transition metal-mediated C-C and C-N cross-coupling reactions. Cross-coupling reaction of 4-fluoroiodobenzene with potassium pentafluorophenyltrifluoroborate in the presence of different palladium catalysts and silver oxide in toluene has been investigated.