HCID54080096

Ethyl 2-methyl-3-(4-nitrophenyl)prop-2-enoate

C12H13NO4235.24 g/molCAS 53618-29-4

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)C(C)=Cc1ccc([N+](=O)[O-])cc1
InChIKey: MMMHCLCYSGLACG-UHFFFAOYSA-N
分子式: C12H13NO4
平均分子量: 235.24 g/mol
单同位素质量: 235.0844579

COMPUTED

结构计算性质

已同步

XLogP: 3
极性表面积: 72.1 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 4
重原子: 17
形式电荷: 0
复杂度: 311

GHS

GHS分类

GHS Classification

Warning

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]；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+P351+P338, P319, P321, P330, P332+P317, P337+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.

HAZARDS

危害信息

Hazard Classes and Categories

Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 13 条

65480-44-6DTXSID00708877RefChem:594460DTXCID70659625995-904-353618-29-4Ethyl 2-methyl-3-(4-nitrophenyl)prop-2-enoateEthyl 2-Methyl-3-(4-Nitrophenyl)propenoateSCHEMBL3034226MMMHCLCYSGLACG-UHFFFAOYSA-NDCA61829Ethyl 4-nitro-alpha-methylcinnamateethyl alpha-methyl-4-nitrocinnamate

REACTIONS