2-(4-フルオロフェニル)チオフェン

2-(4-Fluorophenyl)thiophene

HCID 21894783

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 58861-48-6
標準SMILES: Fc1ccc(-c2cccs2)cc1
InChIKey: PURJRGMZIKXDMW-UHFFFAOYSA-N
分子式: C10H7FS
平均分子量: 178.23 g/mol
単同位体質量: 178.02524956

名称と識別子

優先名称: 2-(4-Fluorophenyl)thiophene
IUPAC: 2-(4-fluorophenyl)thiophene
現地名: 2-(4-フルオロフェニル)チオフェン
英語名: 2-(4-Fluorophenyl)-thiophene
分子式: C10H7FS
分子量: 178.23

名称と別名

2-(4-fluorophenyl)thiophene58861-48-6Thiophene, 2-(4-fluorophenyl)-72TG563TMBEC 611-756-1DTXSID60619591RefChem:84413DTXCID10570345611-756-12-(4-fluorophenyl)-thiophene2-(4-Fluoro-phenyl)-thiopheneMFCD06802535

名称をさらに表示

2-(4-フルオロフェニル)チオフェン2-(4-FLAKOS BAR-1344Canagliflozin INT2IFLAB-BB F2108-0130Impurity of caglitazinFLUOROPHENYL)THIOPHENECagliflozin Impurity 142-(4-Fluorphenyl)thiophen

Canagliflozin IntermediateUNII-72TG563TMBSCHEMBL154088GEO-03158PB10393AC-29154SY042584F0724

データベース識別子

CAS: 58861-48-6
PubChem CID: 21894783
DTXSID: DTXSID60619591
UNII: 72TG563TMB
EC Number: 611-756-1
Nikkaji: J2.582.693K

物性

構造計算による物性

XLogP: 3.8
極性表面積: 28.2 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: 1
重原子数: 12
形式電荷: 0
複雑度: 141

物理化学的性質

融点: 51 to · 51.0 to 55.0 °C
沸点: 252.3 · 252.3±15.0 °C(Predicted)
比重(密度): 1.2 · 1.200±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C(protect from light)
溶解性: soluble in Methanol
外見: powder to crystal
色: Light orange to Yellow to Green
InChI: InChI=1S/C10H7FS/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7H
InChIKey: PURJRGMZIKXDMW-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(F)C=C2)SC=CC=1
CAS データベース: 58861 · 58861-48-6

化学的性質

化学的特性white solid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationREACH registered substance: 2-(4-fluorophenyl)thiophene (EC: 611-756-1)

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

hs_code: 2934999090

化学と産業

応用分野

使用2-(4-Fluorophenyl)-thiophene can be used to prepare Canagliflozin (C175190) as sodium-dependent glucose co-transporter 2 (SGLT2) inhibitor for treatment of type 2 diabetes mellitus.