CAS 793679-07-9 1-[4-(Trifluoromethyl)benzenesulfonyl]piperazine (HCID 2554578)

基本情報

CAS: 793679-07-9
標準SMILES: O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCNCC1
InChIKey: SQXBFRFABWYXTK-UHFFFAOYSA-N
分子式: C11H13F3N2O2S
平均分子量: 294.3 g/mol

名称と識別子

優先名称: 1-[4-(Trifluoromethyl)benzenesulfonyl]piperazine
IUPAC: 1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine

名称と別名

1-[4-(trifluoromethyl)benzenesulfonyl]piperazine1-(4-(trifluoromethyl)benzenesulfonyl)piperazineRefChem:424541823-138-0793679-07-91-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine1-([4-(Trifluoromethyl)phenyl]sulfonyl)piperazine1-((4-(TRIFLUOROMETHYL)PHENYL)SULFONYL)PIPERAZINE1-[4-(trifluoromethyl)phenyl]sulfonylpiperazineSCHEMBL309130AKOS000117621AT27763

名称をさらに表示

EN300-11167SR-010000599071-{[4-(trifluoromethyl)benzene]sulfonyl}piperazineA1-18026SR-01000059907-1Z57042017

データベース識別子

CAS: 793679-07-9
PubChem CID: 2554578
EC Number: 823-138-0

物性

構造計算による物性

XLogP: 1.3
極性表面積: 57.8 Å²
水素結合供与体数: 1
水素結合受容体数: 7
回転可能結合数: 2
重原子数: 19
形式電荷: 0
複雑度: 391

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.