Ethyl isocyanatoacetate 分子结构式
HCID76283

Ethyl isocyanatoacetate

ethyl 2-isocyanatoacetate

C5H7NO3129.11 g/molCAS 2949-22-6

IDENTITY

结构与身份

标准SMILES
CCOC(=O)CN=C=O
InChIKey
DUVOZUPPHBRJJO-UHFFFAOYSA-N
分子式
C5H7NO3
平均分子量
129.11 g/mol
单同位素质量
129.04259309

COMPUTED

结构计算性质

已同步
XLogP
1.5
极性表面积
55.7 Ų
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
137

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H302 (96%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (96%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (88%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H334 (98%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory];H335 (96%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+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 50 reports by companies from 10 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
Hazard Classes and Categories

Acute Tox. 4 (96%);Skin Irrit. 2 (96%);Skin Sens. 1 (88%);Eye Irrit. 2 (98%);Resp. Sens. 1 (98%);STOT SE 3 (96%)

USES

用途与制造

来源:PubChem
General Manufacturing Information

Acetic acid, 2-isocyanato-, ethyl ester: ACTIVE

ALIASES

名称与别名

共 48 条
Ethyl isocyanatoacetate2949-22-6Isocyanatoacetic acid ethyl esterCarbethoxymethyl isocyanateEthoxycarbonylmethyl isocyanateAcetic acid, isocyanato-, ethyl esterIsocyanatoethyl acetateAcetic acid, 2-isocyanato-, ethyl esterEthyl glycolate isocyanateethyl N-(oxomethylene)glycinateNSC 6276EINECS 220-967-4NSC 56429AI3-52377DTXSID3062738glycine, N-carbonyl-, ethyl esterACETIC ACID,ISOCYANATO,ETHYL ESTERRefChem:138963DTXCID8038011220-967-4

REACTIONS

参与反应

167
HRID 13126 反应方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07728030B2

查看
HRID 96238 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看
HRID 158627 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看
HRID 173089 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看
HRID 176577 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看
HRID 184453 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看
HRID 198843 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看
HRID 207379 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看