1-(エチルスルホニル)-4-フルオロベンゼン

Fluoresone

HCID 71814CAS 2924-67-6

部分構造検索類似構造を探す

基本情報

標準SMILES: CCS(=O)(=O)c1ccc(F)cc1
InChIKey: PRNNIHPVNFPWAH-UHFFFAOYSA-N
分子式: C8H9FO2S
平均分子量: 188.22 g/mol
単同位体質量: 188.03072886

名称と識別子

優先名称: Fluoresone
IUPAC: 1-ethylsulfonyl-4-fluorobenzene
現地名: 1-(エチルスルホニル)-4-フルオロベンゼン
英語名: fluoresone
分子式: C8H9FO2S
分子量: 188.22

名称と別名

Fluoresone2924-67-6Ethyl p-fluorophenyl sulfone343BH0S0XR1-Ethanesulfonyl-4-fluoro-benzeneDTXSID10183494RefChem:140903DTXCID20105985220-889-01-(ethanesulfonyl)-4-fluorobenzene1-(Ethylsulfonyl)-4-fluorobenzeneFluoresonum

名称をさらに表示

カデュシドフルオレソンエチル(4-フルオロフェニル)スルホンブリパドン1-(エチルスルホニル)-4-フルオロベンゼンp-フルオロフェニルエチルスルホン1-(エタンスルホニル)-4-フルオロベンゼンfluoresone USP/EP/BPp-Fluorophenylethyl sulfoneEthyl(4-fluorophenyl) sulfone

Fluoresona1-Ethanesulphonyl-4-fluorobenzeneFluoresone [INN:DCF]1-ethylsulfonyl-4-fluorobenzeneBenzene, 1-(ethylsulfonyl)-4-fluoro-1-ethanesulfonyl-4-fluorobenzeneBripadonCaducid

データベース識別子

CAS: 2924-67-6
PubChem CID: 71814
DTXSID: DTXSID10183494
ChEMBL: CHEMBL93309
ChEBI: CHEBI:134835
UNII: 343BH0S0XR
EC Number: 220-889-0
Nikkaji: J7.940E

物性

構造計算による物性

XLogP: 1.6
極性表面積: 42.5 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 222

物理化学的性質

融点: 41 ° · 41°
比重(密度): 1.2315 · 1.2315 (estimate)
外見: low melting crystals
色: Pale yellow

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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, 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.；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.