HCID135742153

3-Hydroxythiophene-2-carbaldehyde

C5H4O2S128.15 g/molCAS 5118-08-1

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IDENTITY

结构与身份

标准SMILES: O=Cc1sccc1O
InChIKey: GQBCZPRINVZQJQ-UHFFFAOYSA-N
分子式: C5H4O2S
平均分子量: 128.15 g/mol
单同位素质量: 127.99320054

COMPUTED

结构计算性质

已同步

XLogP: 1.6
极性表面积: 65.5 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 1
重原子: 8
形式电荷: 0
复杂度: 94

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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

来源：PubChem

Hazard Classes and Categories

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

ALIASES

名称与别名

共 14 条

3-hydroxythiophene-2-carbaldehydeRefChem:502615983-722-75118-08-1SCHEMBL1163926SCHEMBL5609752DTXSID50635523GQBCZPRINVZQJQ-UHFFFAOYSA-N3-hydroxy-thiophene-2-carbaldehydeAKOS000280514DA-235652-(Hydroxymethylidene)thiophen-3(2H)-oneEN300-215543Z1198181265

REACTIONS

参与反应

1 条

uspto-grants-2010_02 · 10.6084/m9.figshare.5104873.v1 · US07666848B2

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