2-クロロ-5-フルオロ-4-ヨードピリジン

2-Chloro-5-fluoro-4-iodopyridine

HCID 24820495

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 884494-49-9
標準SMILES: Fc1cnc(Cl)cc1I
InChIKey: CRLPRXQOSARJCF-UHFFFAOYSA-N
分子式: C5H2ClFIN
平均分子量: 257.43 g/mol
単同位体質量: 256.89045

名称と識別子

優先名称: 2-Chloro-5-fluoro-4-iodopyridine
IUPAC: 2-chloro-5-fluoro-4-iodopyridine
現地名: 2-クロロ-5-フルオロ-4-ヨードピリジン
英語名: 2-CHLORO-5-FLUORO-4-IODOPYRIDINE
分子式: C5H2ClFIN
分子量: 257.43

名称と別名

2-chloro-5-fluoro-4-iodopyridine884494-49-9DTXSID50647540RefChem:258929DTXCID60598291800-457-3MFCD03095306Pyridine, 2-chloro-5-fluoro-4-iodo-SCHEMBL3594352-chloro-5-fluoro-4-iodpyridine2-chloro-4-iodo-5-fluoropyridineAKOS005259148

名称をさらに表示

2-クロロ-5-フルオロ-4-ヨードピリジンMethyl 7-bromopicolinate2-Chloro-5-Fluoro-4-Iodopyridine98%2-Chloro-5-fluoro-4-iodopyridine 98%2-CHLORO-5-FLUORO-4-IODOPYRIDINE ISO 9001：2015 REACH

CS-W000348AB13669AC-27893AM62405SCHEMBL29457227SCHEMBL29457228BBL102564STL556367

データベース識別子

CAS: 884494-49-9
PubChem CID: 24820495
DTXSID: DTXSID50647540
EC Number: 800-457-3

物性

構造計算による物性

XLogP: 2.6
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: 9
形式電荷: 0
複雑度: 103

物理化学的性質

沸点: 242 ℃ · 242℃
比重(密度): 2.129 · 2.129
闪点: 100 ℃ · 100℃
貯蔵温度: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
酸解離定数(Pka): -2.37 · -2.37±0.10(Predicted)
InChI: InChI=1S/C5H2ClFIN/c6-5-1-4(8)3(7)2-9-5/h1-2H
InChIKey: CRLPRXQOSARJCF-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C(F)C(I)=C1

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (20%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (40%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 5 reports by companies from 5 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.