HCID2737239

Ethyl 3,3,3-trifluoro-2-oxopropanoate

C5H5F3O3170.09 g/molCAS 13081-18-0

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)C(=O)C(F)(F)F
InChIKey: KJHQVUNUOIEYSV-UHFFFAOYSA-N
分子式: C5H5F3O3
平均分子量: 170.09 g/mol
单同位素质量: 170.0190785

COMPUTED

结构计算性质

已同步

XLogP: 1.5
极性表面积: 43.4 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 3
重原子: 11
形式电荷: 0
复杂度: 172

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (85.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (96.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 11 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.

HAZARDS

危害信息

来源：PubChem

Regulatory Information

Status: Active Update: 08-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/17652

Hazard Classes and Categories

Flam. Liq. 3 (100%)；Acute Tox. 4 (85.2%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (96.3%)

REGULATORY

法规信息

来源：PubChem

Regulatory Information

Status: Active Update: 08-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/17652

ALIASES

名称与别名

共 32 条

13081-18-0ethyl 3,3,3-trifluoro-2-oxopropanoateRefChem:594533603-440-7Ethyl TrifluoropyruvateEthyl 3,3,3-trifluoropyruvateethyltrifluoropyruvateTrifluoropyruvic Acid Ethyl EsterMFCD001149353,3,3-Trifluoro-2-oxopropanoic Acid Ethyl Ester; Ethyl 2-Oxo-3,3,3-trifluoropropanoate; Ethyl 3,3,3-Trifluoropyruvate; Ethyl 3,3,3-Trifluoro-2-oxopropanoate; Ethyl Trifluoropyruvate;ethyl trifluorpyruvatePropanoic acid, 3,3,3-trifluoro-2-oxo-, ethyl esterethyl-trifluoropyruvateSCHEMBL166910Ethyl 3,3,3 trifluoropyruvateDTXSID503719343,3,3-Trifluoropyruvate ethyl esterFD2022SBB088358AKOS005063330

REACTIONS