HCID18922

4-Methylpyrimidine

C5H6N294.11 g/molCAS 3438-46-8

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IDENTITY

结构与身份

标准SMILES: Cc1ccncn1
InChIKey: LVILGAOSPDLNRM-UHFFFAOYSA-N
分子式: C5H6N2
平均分子量: 94.11 g/mol
单同位素质量: 94.0530982

COMPUTED

结构计算性质

已同步

XLogP: 0.2
极性表面积: 25.8 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 0
重原子: 7
形式电荷: 0
复杂度: 54

PROPERTIES

实验与物化性质

来源：PubChem

Vapor Pressure

4.63 [mmHg]

Physical Description

Colorless liquid with an amine-like odor; [Evonik MSDS]

Kovats Retention Index

819；827；827

853

1328

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory.；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

4-Methylpyrimidine: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary

See Pyrimidine.

Hazard Classes and Categories

Flam. Liq. 3 (100%)

REGULATORY

法规信息

来源：PubChem

Regulatory Information

4-Methylpyrimidine: Does not have an individual approval but may be used under an appropriate group standard

USES

用途与制造

来源：PubChem

Uses

Used as an intermediate for organic syntheses; [Evonik MSDS]

General Manufacturing Information

Pyrimidine, 4-methyl-: INACTIVE

ALIASES

名称与别名

共 35 条

4-METHYLPYRIMIDINE3438-46-8Pyrimidine, 4-methyl-4-methyl-pyrimidineMFCD000061153D1R4OMX4NEINECS 222-344-24-Methylpyrimidine, 97%UNII-3D1R4OMX4NSCHEMBL12441SCHEMBL127453SCHEMBL205815SCHEMBL352893SCHEMBL413067orb3023390SCHEMBL2906033SCHEMBL9903148DTXSID5063027SCHEMBL11016162SCHEMBL29597429

REACTIONS

参与反应

42 条

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536194B2

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uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08541363B2

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uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06710047B2

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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 (9/10) · 10.1039/C8SC04228D

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uspto-grants-1980_11 · 10.6084/m9.figshare.5104873.v1 · US04232156

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

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

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