HCID954261

Ethyl 4-(bromomethyl)benzoate

C10H11BrO2243.1 g/molCAS 26496-94-6

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)c1ccc(CBr)cc1
InChIKey: TWQLMAJROCNXEA-UHFFFAOYSA-N
分子式: C10H11BrO2
平均分子量: 243.1 g/mol
单同位素质量: 241.99424

COMPUTED

结构计算性质

已同步

XLogP: 3.2
极性表面积: 26.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 4
重原子: 13
形式电荷: 0
复杂度: 162

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H302 (76.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (70.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H400 (94.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (94.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P260, P261, P264, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 17 reports by companies from 4 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 (76.5%)；Skin Corr. 1B (100%)；Skin Sens. 1 (70.6%)；Aquatic Acute 1 (94.1%)；Aquatic Chronic 1 (94.1%)

ALIASES

名称与别名

共 34 条

Ethyl 4-(bromomethyl)benzoate26496-94-6Ethyl 4-bromomethylbenzoateDTXSID00359262RefChem:595243DTXCID80310316607-949-54-(Bromomethyl)benzoic acid ethyl esterBenzoic acid, 4-(bromomethyl)-, ethyl esterMFCD037913074-Ethoxycarbonylbenzyl bromideEthyl (4-Bromomethyl)benzoate4-Bromomethyl-benzoic acid ethyl esterEthyl4-(bromomethyl)benzoate4-Carboethoxy-benzylbromide4-Carboethoxybenzyl bromideethyl 4-bromomethyl-benzoateethyl p-(bromomethyl)benzoateethyl-4-(bromomethyl)benzoateSCHEMBL245250

REACTIONS