HCID53847253

Methyl 3,5-difluoro-4-hydroxybenzoate

C8H6F2O3188.13 g/molCAS 170572-47-1

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准 SMILES: COC(=O)c1cc(F)c(O)c(F)c1
InChIKey: GNFQIZAZPRYIFJ-UHFFFAOYSA-N
分子式: C8H6F2O3
平均分子量: 188.13 g/mol
单同位素质量: 188.02850037

COMPUTED

结构计算性质

已同步

XLogP: 1.8
极性表面积: 46.5 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 2
重原子: 13
形式电荷: 0
复杂度: 186

GHS

GHS 分类

来源：PubChem

GHS Classification

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+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

来源：PubChem

Hazard Classes and Categories

Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 22 条

Methyl 3,5-difluoro-4-hydroxybenzoate170572-47-1DTXSID00707108RefChem:354566DTXCID006578563,5-DIFLUORO-4-HYDROXYBENZOIc acid METHYL ESTERMFCD12406862methyl3,5-difluoro-4-hydroxybenzoateSCHEMBL198937Benzoic acid, 3,5-difluoro-4-hydroxy-, methyl esterGNFQIZAZPRYIFJ-UHFFFAOYSA-NAKOS016012948FD66549MS-9672SY103810DB-356657CS-0187485C73278EN300-31959653,5-difluoro-4-hydroxy-benzoic acid methyl ester

REACTIONS