CAS 107507-53-9 1-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]piperazine (HCID 13747810)

基本情報

CAS: 107507-53-9
標準SMILES: FC(F)(F)c1csc(N2CCNCC2)n1
InChIKey: WKUALTYNBYXZGQ-UHFFFAOYSA-N
分子式: C8H10F3N3S
平均分子量: 237.25 g/mol
単同位体質量: 237.05475299

名称と識別子

優先名称: 1-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]piperazine
IUPAC: 2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole
英語名: 1-(4-Trifluoromethyl-thiazol-2-yl)-piperazine
分子式: C8H10F3N3S
分子量: 237.25

名称と別名

1-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]piperazineDTXSID705483031-(4-(trifluoromethyl)-1,3-thiazol-2-yl)piperazineRefChem:428928DTXCID10499087866-714-7107507-53-92-(piperazin-1-yl)-4-(trifluoromethyl)thiazolePiperazine,1-[4-(trifluoromethyl)-2-thiazolyl]-2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole1-(4-TRIFLUOROMETHYL-THIAZOL-2-YL)-PIPERAZINESCHEMBL2826722

名称をさらに表示

1-[4-(Trifluoromethyl)-2-thiazolyl]piperazinePiperazine, 1-[4-(trifluoromethyl)-2-thiazolyl]-1-[4-(trifluoromethyl)-1,3-thiazole-2-yl]piperazine

AKOS011051655CS-02345912-piperazin-1-yl-4-(trifluoromethyl)thiazoleEN300-1440231

データベース識別子

CAS: 107507-53-9
PubChem CID: 13747810
DTXSID: DTXSID70548303
EC Number: 866-714-7

物性

構造計算による物性

XLogP: 1.7
極性表面積: 56.4 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: 1
重原子数: 15
形式電荷: 0
複雑度: 218

物理化学的性質

沸点: 300.3 · 300.3±52.0 °C(Predicted)
比重(密度): 1.363 · 1.363±0.06 g/cm3(Predicted)
酸解離定数(Pka): 8.38 · 8.38±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): 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+P354+P338, P317, P319, P321, P330, P332+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.