2,6-Dimethylquinoline 分子结构式
HCID13414

2,6-Dimethylquinoline

C11H11N157.21 g/molCAS 877-43-0

IDENTITY

结构与身份

标准SMILES
Cc1ccc2nc(C)ccc2c1
InChIKey
JJPSZKIOGBRMHK-UHFFFAOYSA-N
分子式
C11H11N
平均分子量
157.21 g/mol
单同位素质量
157.08914936

COMPUTED

结构计算性质

已同步
XLogP
3
极性表面积
12.9 Ų
氢键供体
0
氢键受体
1
可旋转键
0
重原子
12
形式电荷
0
复杂度
155

PROPERTIES

实验与物化性质

来源:PubChem
Physical Description

Light brown crystalline powder; [Alfa Aesar MSDS]

Kovats Retention Index

1397;1414;1397;1414;1399;1434.7

1429;1411.8;1411.1;243.76;243.86;244.19;242.43

2019;2044;2019;2044;2019;2044;2036

GHS

GHS分类

来源:PubChem
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 (97.7%): 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)

Aggregated GHS information provided per 43 reports by companies from 3 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

Chemical: Quinoline, 2,6-dimethyl-

Quinoline, 2,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary

A skin and strong eye irritant; [Alfa Aesar MSDS] See Quinoline.

Hazard Classes and Categories

Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (97.7%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Chemical: Quinoline, 2,6-dimethyl-

Quinoline, 2,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

USES

用途与制造

来源:PubChem
General Manufacturing Information

Quinoline, 2,6-dimethyl-: ACTIVE

ALIASES

名称与别名

共 59 条
2,6-DIMETHYLQUINOLINE877-43-06-Methylquinaldinep-ToluquinaldineQuinoline, 2,6-dimethyl-2,6-dimethyl quinolineKST0M1T4MBNSC-1782DTXSID0044153RefChem:83341DTXCID8024153212-891-5MFCD000067622,6-Dimethyl-quinolineCHEMBL194502UNII-KST0M1T4MBNSC 1782EINECS 212-891-52.6-DimethylquinolineQuinoline,6-dimethyl-

REACTIONS

参与反应

16
HRID 235593 反应方程式

uspto-grants-1987_02 · 10.6084/m9.figshare.5104873.v1 · US04640708

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HRID 259667 反应方程式

uspto-grants-1996_06 · 10.6084/m9.figshare.5104873.v1 · US05523203

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HRID 274200 反应方程式

uspto-grants-1995_02 · 10.6084/m9.figshare.5104873.v1 · US05389505

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HRID 348723 反应方程式

uspto-grants-2007_02 · 10.6084/m9.figshare.5104873.v1 · US07176227B2

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HRID 808837 反应方程式

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID 942809 反应方程式

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID 1173976 反应方程式

uspto-grants-2010_11 · 10.6084/m9.figshare.5104873.v1 · US07833991B2

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HRID 1235950 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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