2,6-二甲基-3-羟基吡啶2,6-二甲基-3-羟基吡啶

2,6-Dimethyl-3-pyridinol

HCID 70732CAS 1122-43-6

子结构检索查找相似结构

基本信息

标准SMILES: Cc1ccc(O)c(C)n1
InChIKey: AMQJAKKATFMFTR-UHFFFAOYSA-N
分子式: C7H9NO
平均分子量: 123.15 g/mol
单同位素质量: 123.06841391

概述

RN given refers to parent cpd

名称与标识

首选名称: 2,6-Dimethyl-3-pyridinol
IUPAC: 2,6-dimethylpyridin-3-ol
中文名: 2,6-二甲基-3-羟基吡啶2,6-二甲基-3-羟基吡啶
英文名: 2,6-DIMETHYL-3-HYDROXYPYRIDINE
分子式: C7H9NO
分子量: 123.15

名称与别名

1122-43-62,6-Dimethyl-3-pyridinol2,6-Dimethyl-3-oxypyridine7Z5V74623SNSC-164026DTXSID801499462,6-dimethyl pyridinolRefChem:83288DTXCID0072437214-348-82,6-Dimethyl-3-hydroxypyridine2,6-Dimethylpyridin-3-ol

展开更多名称

2,6-二甲基吡啶-3-醇2,6-二甲基-3-羟基吡啶2,6-二甲基-3-羟基嘧啶2,6-二甲基-3-羟基吡啶2,6-二甲基-3-羟基吡啶3-HYDROXY-2,6-LUTIDINE2,6-dimethyl-3-pyridino2,6-DIMETHYLPYRIDINE-3-OL2,6-Dimethylpyridin-3-ol, 3-Hydroxy-2,6-lutidine2,6-DIMETHYL-3-HYDROXYPYRIDINE ISO 9001：2015 REACH

3-Pyridinol, 2,6-dimethyl-3-Hydroxy-2,6-dimethylpyridineMFCD00228692EINECS 214-348-82,6-Dimethyl-pyridin-3-olNSC 164026BRN 0111008UNII-7Z5V74623S

数据库标识

CAS: 1122-43-6
PubChem CID: 70732
DTXSID: DTXSID80149946
UNII: 7Z5V74623S
EC Number: 214-348-8
Nikkaji: J31.356D

性质

结构计算性质

XLogP: 1.3
极性表面积: 33.1 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 0
重原子: 9
形式电荷: 0
复杂度: 94.9

物理化学性质

熔点: 210 · 210-212°C
沸点: 278.9 · 278.9±35.0 °C(Predicted)
密度: 1.083 · 1.083±0.06 g/cm3(Predicted)
储存条件: Inert atmosphere,Room Temperature
溶解度: DMSO (Slightly, Sonicated), Methanol (Slightly, Sonicated)
形态: Solid
酸度系数(pKa): 10.72 · 10.72±0.10(Predicted)
颜色: Pale Yellow to Pale Beige
CAS 数据库: 1122 · 1122-43-6(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 4 条

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

安全数据

毒性: mammal (species unspecified),LD50,unreported,675mg/kg (675mg/kg),BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX),Pharmaceutical Chemistry Journal Vol. 16, Pg. 259, 1982.
hazard_note: Irritant
安全说明: 26-36/37/39-37/39
海关编码: 2933399990
危险品标志: Xi
危险类别码: 36/37/38