HCID15455641

2-Isocyanato-1,1-dimethoxyethane

C5H9NO3131.13 g/molCAS 71189-22-5

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IDENTITY

结构与身份

标准SMILES: COC(CN=C=O)OC
InChIKey: FCLRDVPREJSWBM-UHFFFAOYSA-N
分子式: C5H9NO3
平均分子量: 131.13 g/mol
单同位素质量: 131.05824315

COMPUTED

结构计算性质

已同步

XLogP: 0.9
极性表面积: 47.9 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 4
重原子: 9
形式电荷: 0
复杂度: 105

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；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]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, 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

来源：PubChem

Hazard Classes and Categories

Flam. Liq. 3 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；Resp. Sens. 1 (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 21 条

2-isocyanato-1,1-dimethoxyethane71189-22-5RefChem:473821971-464-8Ethane, 2-isocyanato-1,1-dimethoxy-2-Isocyanato-1,1-dimethoxy-ethaneMFCD058644112,2-dimethoxyethyl isocyanateSCHEMBL5167163SCHEMBL51671662-Isocyanato-11-dimethoxyethaneWZG0190FCLRDVPREJSWBM-UHFFFAOYSA-NWCA189222-Isocyanato-1, 1-dimethoxy-ethaneAKOS015830623SY247097EN300-107228G64854F521234

REACTIONS

参与反应

5 条

uspto-grants-2001_04 · 10.6084/m9.figshare.5104873.v1 · US06211178B1

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uspto-grants-1999_11 · 10.6084/m9.figshare.5104873.v1 · US05985875

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uspto-grants-1999_11 · 10.6084/m9.figshare.5104873.v1 · US05994355

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (10/10) · 10.1039/C8SC04228D

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