Ethyl 7-bromobenzofuran-2-carboxylate 分子结构式
HCID46738833

Ethyl 7-bromobenzofuran-2-carboxylate

ethyl 7-bromo-1-benzofuran-2-carboxylate

C11H9BrO3269.09 g/molCAS 1033201-65-8

IDENTITY

结构与身份

标准SMILES
CCOC(=O)c1cc2cccc(Br)c2o1
InChIKey
PHNYOGFMKPEKDS-UHFFFAOYSA-N
分子式
C11H9BrO3
平均分子量
269.09 g/mol
单同位素质量
267.97351

COMPUTED

结构计算性质

已同步
XLogP
3.6
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
15
形式电荷
0
复杂度
244

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 16 条
ETHYL 7-BROMOBENZOFURAN-2-CARBOXYLATE1033201-65-8ETHYL 7-BROMO-1-BENZOFURAN-2-CARBOXYLATEMFCD106996437-bromo-2-Benzofurancarboxylic acid ethyl esterSCHEMBL931020DTXSID20674484PHNYOGFMKPEKDS-UHFFFAOYSA-NAKOS009470758DB-058974ETHYL7-BROMOBENZOFURAN-2-CARBOXYLATECS-0181080EN300-7513277-bromo-benzofuran-2-carboxylic acid ethyl esterF319759Z418580850

REACTIONS

相关反应

16
HRID 96 反应方程式

750 AstraZeneca ELN dataset

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HRID 97 反应方程式

750 AstraZeneca ELN dataset

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HRID 98 反应方程式

750 AstraZeneca ELN dataset

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HRID 99 反应方程式

750 AstraZeneca ELN dataset

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HRID 100 反应方程式

750 AstraZeneca ELN dataset

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HRID 101 反应方程式

750 AstraZeneca ELN dataset

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HRID 102 反应方程式

750 AstraZeneca ELN dataset

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HRID 108656 反应方程式

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

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