6-Chloro-5-methylpyridin-3-ol

HCID 12852015CAS 54232-03-0

基本情報

標準SMILES: Cc1cc(O)cnc1Cl
InChIKey: UGDSWVXJJFIVAH-UHFFFAOYSA-N
分子式: C6H6ClNO
平均分子量: 143.57 g/mol
単同位体質量: 143.0137915

名称と識別子

優先名称: 6-Chloro-5-methylpyridin-3-ol
IUPAC: 6-chloro-5-methylpyridin-3-ol
英語名: 2-Chloro-5-hydroxy-3-methylpyridine
分子式: C6H6ClNO
分子量: 143.57

名称と別名

6-Chloro-5-methylpyridin-3-ol54232-03-0DTXSID30511472RefChem:308027DTXCID90462279869-793-62-Chloro-5-hydroxy-3-methylpyridineMFCD115192956-Chloro-5-methyl-pyridin-3-ol3-Pyridinol, 6-chloro-5-methyl-2-CHLORO-5-HYDROXY-3-METHYLPYRDINESCHEMBL1765148

名称をさらに表示

6-chloro-5-Methyl-3-Pyridinol2-Chloro-5-hydroxy-3-methylpyr2-Chloro-3-methyl-5-hydroxypyridine6-Chloro-5-methyl-3-hydroxy-pyridine2-Chloro-5-hydroxy-3-methylpyridine,97%2-Chloro-5-hydroxy-3-methylpyridine 96%

CHEMBL32369196-chloro-5-methylpyridine-3-olAMY8027UGDSWVXJJFIVAH-UHFFFAOYSA-NAKOS006326006CS-W003790DS-1932PB31577

データベース識別子

CAS: 54232-03-0
PubChem CID: 12852015
DTXSID: DTXSID30511472
ChEMBL: CHEMBL3236919
EC Number: 869-793-6

物性

構造計算による物性

XLogP: 1.8
極性表面積: 33.1 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 99

物理化学的性質

沸点: 353 · 353.0±37.0 °C(Predicted)
比重(密度): 1.313 · 1.313±0.06 g/cm3(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
酸解離定数(Pka): 8.81 · 8.81±0.10(Predicted)
CAS データベース: 54232 · 54232-03-0

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.