HCID69523

2-Isopropylpyridine

2-propan-2-ylpyridine

C8H11N121.18 g/molCAS 644-98-4

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IDENTITY

结构与身份

标准SMILES: CC(C)c1ccccn1
InChIKey: PFYPDUUXDADWKC-UHFFFAOYSA-N
分子式: C8H11N
平均分子量: 121.18 g/mol
单同位素质量: 121.08914936

COMPUTED

结构计算性质

已同步

XLogP: 1.9
极性表面积: 12.9 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 1
重原子: 9
形式电荷: 0
复杂度: 78

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]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1377 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源：PubChem

Regulatory Information

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Pyridine, 2-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories

Acute Tox. 4 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)

REGULATORY

法规信息

来源：PubChem

Regulatory Information

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Pyridine, 2-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard

ALIASES

名称与别名

共 45 条

2-Isopropylpyridine644-98-4Pyridine, 2-(1-methylethyl)-2-(2-Pyridyl)propane7IZ3XFD8G4PYRIDINE, 2-ISOPROPYL-EINECS 211-426-3NSC-42615NSC 42615RefChem:473929211-426-3InChI=1/C8H11N/c1-7(2)8-5-3-4-6-9-8/h3-7H,1-2H2-Isopropyl pyridine2-propan-2-ylpyridineMFCD00047438isopropylpyridine2-(propan-2-yl)pyridine2-isopropyl-pyridine75981-47-4NSC42615

REACTIONS

参与反应

25 条

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

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

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08741926B2

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uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08754106B2

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uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08629271B2

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uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08629271B2

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