HCID4128466

2-(4-Methylphenyl)thiophene

C11H10S174.26 g/molCAS 16939-04-1

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IDENTITY

结构与身份

标准SMILES: Cc1ccc(-c2cccs2)cc1
InChIKey: DKFPQCUHILRPNN-UHFFFAOYSA-N
分子式: C11H10S
平均分子量: 174.26 g/mol
单同位素质量: 174.05032149

COMPUTED

结构计算性质

已同步

XLogP: 4.1
极性表面积: 28.2 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 1
重原子: 12
形式电荷: 0
复杂度: 136

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. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 18 条

2-(4-methylphenyl)thiophene16939-04-1RefChem:458146800-089-32-p-TolylthiopheneMFCD068017842-p-tolyl-thiophene2-(p-Tolyl)thiopheneSCHEMBL152530SCHEMBL1416461SCHEMBL2237075SCHEMBL2304871SCHEMBL4590239Thiophene, 2-(4-methylphenyl)-AKOS004113976AS-48020CS-0208573F17552

REACTIONS

参与反应

11 条

uspto-grants-1979_11 · 10.6084/m9.figshare.5104873.v1 · US04174405

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08202984B2

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07943788B2

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uspto-grants-2012_07 · 10.6084/m9.figshare.5104873.v1 · US08222219B2

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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uspto-grants-2014_07 · 10.6084/m9.figshare.5104873.v1 · US08785403B2

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