(2-Chloro-6-methylpyridin-4-yl)methanol 分子结构式
HCID22504306

(2-Chloro-6-methylpyridin-4-yl)methanol

(2-chloro-6-methyl-4-pyridinyl)methanol

C7H8ClNO157.6 g/molCAS 152815-18-4

IDENTITY

结构与身份

标准SMILES
Cc1cc(CO)cc(Cl)n1
InChIKey
YXPVCSWOMRFRCS-UHFFFAOYSA-N
分子式
C7H8ClNO
平均分子量
157.6 g/mol
单同位素质量
157.0294416

COMPUTED

结构计算性质

已同步
XLogP
1.3
极性表面积
33.1 Ų
氢键供体
1
氢键受体
2
可旋转键
1
重原子
10
形式电荷
0
复杂度
110

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H226 (50%): Flammable liquid and vapor [Warning Flammable liquids];H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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

Flam. Liq. 3 (50%);Acute Tox. 4 (50%);Skin Irrit. 2 (50%);Eye Dam. 1 (50%);Eye Irrit. 2A (50%);STOT SE 3 (50%)

ALIASES

名称与别名

共 20 条
(2-chloro-6-methylpyridin-4-yl)methanol152815-18-4RefChem:395643961-776-2MFCD16607334(2-Chloro-6-methyl-4-pyridyl)methanol(2-chloro-6-methyl-pyridin-4-yl)-methanolSCHEMBL501235SCHEMBL5898063YXPVCSWOMRFRCS-UHFFFAOYSA-NSB534442-chloro4-hydroxymethyl-6-methylpyridineDA-09949SY269196WS-02020(2-chloro-6-methylpyridin-4-yl)-methanol2-chloro-4-hydroxymethyl-6-methylpyridineCS-0214821EN300-1965678F539447

REACTIONS

参与反应

30
HRID 676 反应方程式

750 AstraZeneca ELN dataset

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HRID 112922 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID 149179 反应方程式

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

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HRID 203633 反应方程式

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

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HRID 279571 反应方程式

uspto-grants-2002_03 · 10.6084/m9.figshare.5104873.v1 · US06362336B1

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HRID 279572 反应方程式

uspto-grants-2002_03 · 10.6084/m9.figshare.5104873.v1 · US06362336B1

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HRID 312730 反应方程式

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

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HRID 426112 反应方程式

uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08106064B2

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