HCID550681

Ethyl 2-isocyanatopropionate

ethyl 2-isocyanatopropanoate

C6H9NO3143.14 g/molCAS 13794-28-0

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)C(C)N=C=O
InChIKey: PFIQRPNWLUAMOF-UHFFFAOYSA-N
分子式: C6H9NO3
平均分子量: 143.14 g/mol
单同位素质量: 143.05824315

COMPUTED

结构计算性质

已同步

XLogP: 1.9
极性表面积: 55.7 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 4
重原子: 10
形式电荷: 0
复杂度: 160

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H302 (100%): 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]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 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.

ALIASES

名称与别名

共 20 条

Ethyl 2-isocyanatopropionate13794-28-0DTXSID50338688RefChem:342866DTXCID40289771PFIQRPNWLUAMOF-UHFFFAOYSA-NEthyl 2-isocyanatopropanoatePropanoic acid, 2-isocyanato-, ethyl esterethyl N-(oxomethylene)alaninateMFCD00078449Ethyl 2-Isocyanatopropionate (>90%)ethyl isocyanatopropionateSCHEMBL571924Ethyl 2-isocyanatopropanoate #ethyl N-(oxomethylidene)alaninateSBB048880AKOS0051717272-isocyanato-propionic acid ethyl esterMS-20712EN300-1458621

REACTIONS