CAS 3279-76-3 6-Methylpyridin-2-ol (HCID 76772)

名称と識別子

優先名称: 6-Methylpyridin-2-ol
IUPAC: 6-methyl-1H-pyridin-2-one
現地名: 2-ヒドロキシ-6-メチルピリジン
英語名: 2-Hydroxy-6-methylpyridine
分子式: C6H7NO
分子量: 109.13

名称と別名

6-Methylpyridin-2-ol2(1H)-Pyridinone, 6-methyl-6-MethylpyridinoneTN77J7TM32EINECS 221-919-5NSC 75619NSC-75619DTXSID40954452RefChem:544032DTXCID701256528221-919-52-Hydroxy-6-methylpyridine

名称をさらに表示

2-ヒドロキシ-6-メチルピリジン6-メチルピリジン-2(1H)-オン6-メチル-2(1H)-ピリドン6-メチル-1,2-ジヒドロピリジン-2-オン6-メチル-2-ヒドロキシピリジン6-メチルピリジン-2-オール6-メチル-2-ピリジノール2‐ヒドロキシ‐6‐メチルピリジン6-メチル-2-ピリジノン2-ヒドロキシ-6-メチルピリジン, 98%2(1H)-Pyridone, 6-methyl-6-Methyl-2(1H)-pAKOS BBS-00002969TIMTEC-BB SBB0043452-Methyl-6-pyridone6-Methyl-2H-pyridone6-Hydroxy-α-picoline

3279-76-36-methylpyridin-2(1H)-one91914-07-76-Methyl-2-pyridinol6-methyl-1H-pyridin-2-one6-Methyl-2-pyridone6-Methyl-2-pyridinone6-Methyl-2-hydroxypyridine

データベース識別子

CAS: 3279-76-3、73229-70-6
PubChem CID: 76772
DTXSID: DTXSID40954452
UNII: TN77J7TM32
EC Number: 221-919-5
Nikkaji: J110.371G

物性

構造計算による物性

XLogP: 0.6
極性表面積: 29.1 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 8
形式電荷: 0
複雑度: 167

物理化学的性質

融点: 157 · 157-159 °C (lit.)
沸点: 131 · 131-133C
比重(密度): 1.1143 · 1.1143 (rough estimate)
屈折率: 1.504 · 1.5040 (estimate)
貯蔵温度: Sealed in dry,Room Temperature
外見: 結晶性粉末
酸解離定数(Pka): 12.12 · 12.12±0.10(Predicted)
色: ホワイト～クリーム
BRN: 107073 · 107073
InChI: InChI=1S/C6H7NO/c1-5-3-2-4-6(8)7-5/h2-4H,1H3,(H,7,8)
InChIKey: JEAVIRYCMBDJIU-UHFFFAOYSA-N
SMILES: C1(=O)NC(C)=CC=C1
CAS データベース: 3279 · 3279-76-3(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2(1H)-Pyridinone, 6-methyl-(3279-76-3)

化学的性質

化学的特性white to cream-colored crystalline powder

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 2.1% (1 of 47) of reports.

Warning

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.7%): 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)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 47 reports by companies.；There are 6 notifications provided by 46 of 47 reports by companies with hazard statement code(s).；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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)；Eye Irrit. 2 (97.9%)；STOT SE 3 (95.7%)

安全データ

F: 10
wgk: 3
hs_code: 29333999
risk_code: 36/37/38-40
hazard_code: Xi,Xn
safety_code: 26-36-22
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

用途有機合成原料。

一般的な説明2-Hydroxy-6-methylpyridine reacts with carboxylic acids RCOOH to give an equilibrium mixture of products M(2)(O(2)CR)(n)(mhp)(4-n) where R = 2-thienyl and phenyl. mhp is the anion formed from deprotonation of 2-hydroxy-6-methylpyridine.