HCID818108

5-Bromo-2-hydroxy-4-methoxybenzaldehyde

C8H7BrO3231.04 g/molCAS 57543-36-9

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: COc1cc(O)c(C=O)cc1Br
InChIKey: OHSSWZLKWHLYFP-UHFFFAOYSA-N
分子式: C8H7BrO3
平均分子量: 231.04 g/mol
单同位素质量: 229.95786

COMPUTED

结构计算性质

已同步

XLogP: 2.2
极性表面积: 46.5 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 2
重原子: 12
形式电荷: 0
复杂度: 162

GHS

GHS分类

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

ALIASES

名称与别名

共 20 条

5-bromo-2-hydroxy-4-methoxybenzaldehyde57543-36-9DTXSID80355904RefChem:301667DTXCID50306963963-034-3MFCD008394215-Bromo-2-hydroxy-4-methoxy-benzaldehydeBenzaldehyde, 5-bromo-2-hydroxy-4-methoxy-3-bromo-6-hydroxy-4-methoxy-benzaldehydeSCHEMBL5490218OHSSWZLKWHLYFP-UHFFFAOYSA-NSBB097692AKOS024258098AS-38414DA-04735SY025558CS-0137256AE-848/30539042F303890

REACTIONS