5-Fluoro-2-methylpyridine 分子结构式
HCID2762863

5-Fluoro-2-methylpyridine

C6H6FN111.12 g/molCAS 31181-53-0

IDENTITY

结构与身份

标准SMILES
Cc1ccc(F)cn1
InChIKey
LXAHHHIGZXPRKQ-UHFFFAOYSA-N
分子式
C6H6FN
平均分子量
111.12 g/mol
单同位素质量
111.04842736

COMPUTED

结构计算性质

已同步
XLogP
1.3
极性表面积
12.9 Ų
氢键供体
0
氢键受体
2
可旋转键
0
重原子
8
形式电荷
0
复杂度
74

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (50%): 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)

Aggregated GHS information provided per 2 reports by companies from 2 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
Hazard Classes and Categories

Acute Tox. 4 (100%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);Acute Tox. 4 (50%);STOT SE 3 (100%)

ALIASES

名称与别名

共 30 条
5-fluoro-2-methylpyridine31181-53-0DTXSID10376521RefChem:303169DTXCID20327549814-475-45-fluoro-2-picoline3-Fluoro-6-picolineMFCD030952715-fluoro-2-methyl-pyridine3-fluoro-6-methylpyridinePYRIDINE, 5-FLUORO-2-METHYL-5-Fluoro -2-picolineSCHEMBL424656SCHEMBL754139SCHEMBL932697SCHEMBL1439318SCHEMBL16114306SCHEMBL22978495SCHEMBL29918724

REACTIONS

参与反应

9
HRID 1856 反应方程式

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05726182

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HRID 169487 反应方程式

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

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HRID 586802 反应方程式

uspto-grants-2005_08 · 10.6084/m9.figshare.5104873.v1 · US06936736B2

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HRID 1080198 反应方程式

uspto-grants-1996_12 · 10.6084/m9.figshare.5104873.v1 · US05580872

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HRID 1226457 反应方程式

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

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HRID 1271699 反应方程式

uspto-grants-2007_04 · 10.6084/m9.figshare.5104873.v1 · US07205408B2

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HRID 1450062 反应方程式

uspto-grants-1997_02 · 10.6084/m9.figshare.5104873.v1 · US05599816

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HRID 1934360 反应方程式

uspto-grants-2002_05 · 10.6084/m9.figshare.5104873.v1 · US06384033B1

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