HCID9673

Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate

methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate

C5H4F6O2210.07 g/molCAS 360-54-3

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IDENTITY

结构与身份

标准SMILES: COC(=O)C(C(F)(F)F)C(F)(F)F
InChIKey: JGGBVFLRNNDHCM-UHFFFAOYSA-N
分子式: C5H4F6O2
平均分子量: 210.07 g/mol
单同位素质量: 210.01154834

COMPUTED

结构计算性质

已同步

XLogP: 2.3
极性表面积: 26.3 Å²
氢键供体: 0
氢键受体: 8
可旋转键: 2
重原子: 13
形式电荷: 0
复杂度: 178

GHS

GHS分类

GHS Classification

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P316, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 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

Hazard Classes and Categories

Flam. Liq. 2 (100%)；Acute Tox. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)

ALIASES

名称与别名

共 29 条

Methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoatemethyl 2-(trifluoromethyl)-3,3,3-trifluoropropionateRefChem:813786808-139-6360-54-3Propanoic acid, 3,3,3-trifluoro-2-(trifluoromethyl)-, methyl esterMethyl 3,3,3-trifluoro-2-(trifluoromethyl)propionateMethyl hexafluoroisobutyrateMFCD00054663ISOBUTYRIC ACID, HEXAFLUORO-, METHYL ESTERBRN 1787515methyl 2-(trifluoromethyl)-3,3,3-trifluoropropanoateMethyl 2H-hexafluoro-2-methylpropanoate4-02-00-00856 (Beilstein Handbook Reference)SCHEMBL3140450DTXSID0073168Methyl bis(trifluoromethyl)acetateSBB094286AKOS016015328Methyl 2,2-Bis(trifluoromethyl)acetate

REACTIONS