CAS 57008-25-0 2-(2,2,2-Trifluoroethanesulfonyl)acetic acid (HCID 20574043)

基本情報

CAS: 57008-25-0
標準SMILES: O=C(O)CS(=O)(=O)CC(F)(F)F
InChIKey: FIULQBJUTSDMEI-UHFFFAOYSA-N
分子式: C4H5F3O4S
平均分子量: 206.14 g/mol
単同位体質量: 205.9860643

名称と識別子

優先名称: 2-(2,2,2-Trifluoroethanesulfonyl)acetic acid
IUPAC: 2-(2,2,2-trifluoroethylsulfonyl)acetic acid

名称と別名

2-(2,2,2-trifluoroethanesulfonyl)acetic acidRefChem:451576858-687-557008-25-02-(2,2,2-trifluoroethylsulfonyl)acetic acid(2,2,2-Trifluoroethanesulfonyl)acetic acidtrifluoroethylsulfonylacetic acidSCHEMBL11394367DTXSID10608879HCA00825AKOS0001720492,2,2-trifluoroethylsulfonylacetic acid

名称をさらに表示

2-(2,2,2-trifluoroethanesulfonyl)aceticacidCS-0235386EN300-156076G58047Z295402476

データベース識別子

CAS: 57008-25-0
PubChem CID: 20574043
DTXSID: DTXSID10608879
EC Number: 858-687-5

物性

構造計算による物性

XLogP: 0.3
極性表面積: 79.8 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: 3
重原子数: 12
形式電荷: 0
複雑度: 259

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

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, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, 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.