CAS 893735-21-2 1-(5-(4-(Trifluoromethyl)phenyl)thiophen-2-yl)ethan-1-one (HCID 4191494)

基本情報

CAS: 893735-21-2
標準SMILES: CC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)s1
InChIKey: BJQZMUPNZWLRMA-UHFFFAOYSA-N
分子式: C13H9F3OS
平均分子量: 270.27 g/mol

名称と識別子

優先名称: 1-(5-(4-(Trifluoromethyl)phenyl)thiophen-2-yl)ethan-1-one
IUPAC: 1-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethanone

名称と別名

893735-21-21-{5-[4-(trifluoromethyl)phenyl]thiophen-2-yl}ethan-1-one1-(5-(4-(Trifluoromethyl)phenyl)thiophen-2-yl)ethan-1-one1-(5-[4-(TRIFLUOROMETHYL)PHENYL]THIOPHEN-2-YL)ETHAN-1-ONERefChem:426122982-979-21-(5-(4-(trifluoromethyl)phenyl)thiophen-2-yl)ethanone1-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethanone1-[5-[4-(trifluoromethyl)phenyl]-2-thienyl]ethanoneSCHEMBL219909MFCD06802019AKOS004117629

名称をさらに表示

CCG-288173CS-0248703EN300-41078G240981-(5-(4-(trifluoromethyl)phenyl)thien-2-yl)ethanone1-{5-[4-(Trifluoromethyl)phenyl]-2-thienyl}ethanonZ382789458

データベース識別子

CAS: 893735-21-2
PubChem CID: 4191494
EC Number: 982-979-2

物性

構造計算による物性

XLogP: 4.2
極性表面積: 45.3 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 18
形式電荷: 0
複雑度: 308

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.