HCID59557777

2-(2-Fluoroethoxy)ethyl 4-methylbenzenesulfonate

C11H15FO4S262.3 g/molCAS 1118567-11-5

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IDENTITY

结构与身份

标准SMILES: Cc1ccc(S(=O)(=O)OCCOCCF)cc1
InChIKey: VQTKDNCYXCDOSB-UHFFFAOYSA-N
分子式: C11H15FO4S
平均分子量: 262.3 g/mol
单同位素质量: 262.06750829

COMPUTED

结构计算性质

已同步

XLogP: 1.6
极性表面积: 61 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 7
重原子: 17
形式电荷: 0
复杂度: 291

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P362+P364, P363, 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

来源：PubChem

Hazard Classes and Categories

Acute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Corr. 1B (100%)；Skin Sens. 1 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 11 条

2-(2-fluoroethoxy)ethyl 4-methylbenzenesulfonate1118567-11-52-(2-fluoroethoxy)ethyl 4-methylbenzene-1-sulfonateMFCD30290198Ethanol, 2-(2-fluoroethoxy)-, 1-(4-methylbenzenesulfonate)SCHEMBL499508CHEMBL2221304VQTKDNCYXCDOSB-UHFFFAOYSA-NDTXSID901192615H83891EN300-22057315

REACTIONS