Ethyl 5-bromofuran-2-carboxylate 分子结构式
HCID345282

Ethyl 5-bromofuran-2-carboxylate

C7H7BrO3219.03 g/molCAS 6132-37-2

IDENTITY

结构与身份

标准SMILES
CCOC(=O)c1ccc(Br)o1
InChIKey
GVAPLPBPJARJEY-UHFFFAOYSA-N
分子式
C7H7BrO3
平均分子量
219.03 g/mol
单同位素质量
217.95786

COMPUTED

结构计算性质

已同步
XLogP
2.2
极性表面积
39.4 Ų
氢键供体
0
氢键受体
3
可旋转键
3
重原子
11
形式电荷
0
复杂度
149

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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 25 条
Ethyl 5-bromofuran-2-carboxylate6132-37-2DTXSID50323014RefChem:1084976DTXCID50274133ethyl 5-bromo-2-furancarboxylateETHYL 5-BROMO-2-FUROATEMFCD00092362NSC4027895-BROMO-2-FUROIC ACID ETHYL ESTERethyl 5-bromo-2-furateSCHEMBL3621592-bromo-5-ethoxycarbonyl-furanEthyl5-bromofuran-2-carboxylateethyl-5-bromofuran-2-carboxylateGVAPLPBPJARJEY-UHFFFAOYSA-NAKOS008947949AB03314NSC-402789AS-19205

REACTIONS

参与反应

23
HRID 92316 反应方程式

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

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HRID 685656 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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HRID 813061 反应方程式

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID 1111467 反应方程式

uspto-grants-1990_12 · 10.6084/m9.figshare.5104873.v1 · US04980484

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HRID 1432267 反应方程式

uspto-grants-2009_11 · 10.6084/m9.figshare.5104873.v1 · US07612070B2

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HRID 1432268 反应方程式

uspto-grants-2009_11 · 10.6084/m9.figshare.5104873.v1 · US07612070B2

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HRID 1450237 反应方程式

uspto-grants-1997_02 · 10.6084/m9.figshare.5104873.v1 · US05602130

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HRID 1534515 反应方程式

uspto-grants-1992_02 · 10.6084/m9.figshare.5104873.v1 · US05089509

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