CAS 22282-70-8 2-Fluoro-4-iodopyridine (HCID 7023570)

基本情報

CAS: 22282-70-8
標準SMILES: Fc1cc(I)ccn1
InChIKey: ADPRIAVYIGHFSO-UHFFFAOYSA-N
分子式: C5H3FIN
平均分子量: 222.99 g/mol
単同位体質量: 222.92942532

名称と識別子

優先名称: 2-Fluoro-4-iodopyridine
IUPAC: 2-fluoro-4-iodopyridine
現地名: 2-フルオロ-4-ヨードピリジンヨウ化物
英語名: 2-Fluoro-4-iodopyridine
分子式: C5H3FIN
分子量: 222.99

名称と別名

2-Fluoro-4-iodopyridine22282-70-8DTXSID80427514RefChem:87079DTXCID10378348681-832-74-Iodo-2-fluoropyridine2-fluoro-4-iodo-pyridineMFCD03092926Pyridine, 2-fluoro-4-iodo-CS-B0944ZB1367

名称をさらに表示

2-フルオロ-4-ヨードピリジンヨウ化物2-フルオロ-4-ヨードピリジン2‐フルオロ‐4‐ヨードピリジンuoro-4-iodopyridine2-Fluor-4-iodopyridine2-Fluoro-4-iodopyridine>2-Fluoro-4-iodopyridine AldrichCPR2-Fluoro-4-iodopyridine ISO 9001：2015 REACH

AC-4556PS-7808F07732-fluoro-4-iodo pyridinefluoro-4-iodo pyridineA4789AM20050963SCHEMBL256099

データベース識別子

CAS: 22282-70-8
PubChem CID: 7023570
DTXSID: DTXSID80427514
EC Number: 681-832-7
Nikkaji: J566.223K

物性

構造計算による物性

XLogP: 1.9
極性表面積: 12.9 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 8
形式電荷: 0
複雑度: 78.8

物理化学的性質

融点: 57 °C · 57 °C
沸点: 223 · 223.0±20.0 °C(Predicted)
比重(密度): 2.046 · 2.046±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: soluble in Methanol
外見: powder to crystal
酸解離定数(Pka): -1.81 · -1.81±0.10(Predicted)
色: White to Light yellow
InChI: InChI=1S/C5H3FIN/c6-5-3-4(7)1-2-8-5/h1-3H
InChIKey: ADPRIAVYIGHFSO-UHFFFAOYSA-N
SMILES: C1(F)=NC=CC(I)=C1
CAS データベース: 22282 · 22282-70-8(CAS DataBase Reference)

化学的性質

化学的特性Salmon-coloured solid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

安全データ

hs_code: 2933399990
risk_code: 20/21/22-36/37/38-22
安衛法: 57,57-2
hazard_code: Xn
hazard_note: Harmful
safety_code: 22-26-36/37/39
hazard_class: IRRITANT

化学と産業

応用分野 · 1 件

使用2-Fluoro-4-iodopyridine serves as a key building block in organic synthesis[6]. The compound acts as a precursor for synthesizing secondary alcohols via iodo–magnesium exchange with isopropyl magnesium chloride, followed by reaction with substituted benzaldehydes[6][8]. It undergoes palladium-catalyzed coupling with aryl or alkyl amines using Pd(OAc)2 and BINAP in anhydrous toluene with K2CO3 as base[7]. 2-Fluoro-4-iodopyridine functions as a starting material for multi-step synthetic routes, including the preparation of thrombin inhibitor analogues.