CAS 34107-46-5 (6-Methylpyridin-3-yl)methanol (HCID 11228788)

基本情報

CAS: 34107-46-5
標準SMILES: Cc1ccc(CO)cn1
InChIKey: DJCJOWDAAZEMCI-UHFFFAOYSA-N
分子式: C7H9NO
平均分子量: 123.15 g/mol
単同位体質量: 123.06841391

名称と識別子

優先名称: (6-Methylpyridin-3-yl)methanol
IUPAC: (6-methyl-3-pyridinyl)methanol
現地名: 6-メチル-3-ピリジンメタノール
英語名: (6-Methylpyridin-3-yl)methanol
分子式: C7H9NO
分子量: 123.15

名称と別名

(6-methylpyridin-3-yl)methanol34107-46-5DTXSID50459327RefChem:209760DTXCID60410146684-200-95-hydroxymethyl-2-methylpyridine(6-methyl-3-pyridinyl)methanol3-Pyridinemethanol, 6-methyl-MFCD086920035-(HYDROXYMETHYL)-2-METHYLPYRIDINE3-Pyridinemethanol,6-methyl-

名称をさらに表示

6-メチル-3-ピリジンメタノール5-ヒドロキシメチル-2-ピコリン5-ヒドロキシメチル-2-メチルピリジン(6-メチル-3-ピリジニル)メタノール(6-メチルピリジン-3-イル)メタノール5-Hydroxymethyl-2-picoline6-Methylpyridine-3-methanol6-Methyl-3-PyridineMethanol(6-Methyl-3-pyridyl)methanol6-(Methylpyridin-3-yl)methano6-Methyl-3-pyridinemethanol >5-Hyroxymethyl-2-methylpyridine

(6-Methyl-pyridin-3-yl)-methanol2-methyl-5-hydroxymethylpyridine5-hydroxymethyl-2-methyl-pyridineAKOS005073703CS-W001029SB12349SY028280(6-METHYL-PYRIDIN-3-YL)METHANOL

データベース識別子

CAS: 34107-46-5
PubChem CID: 11228788
DTXSID: DTXSID50459327
EC Number: 684-200-9
Nikkaji: J1.802.443H

物性

構造計算による物性

XLogP: 0.4
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: 1
重原子数: 9
形式電荷: 0
複雑度: 85

物理化学的性質

融点: 43 · 43-47 °C
沸点: 100 °C/0.7mmHg · 100°C/0.7mmHg(lit.)
比重(密度): 1.092 · 1.092±0.06 g/cm3(Predicted)
屈折率: 20 · n20/D 1.540
闪点: 110 °C · >110°C
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: soluble in Methanol
外見: 個体
酸解離定数(Pka): 13.7 · 13.70±0.10(Predicted)
色: 白い
InChI: InChI=1S/C7H9NO/c1-6-2-3-7(5-9)4-8-6/h2-4,9H,5H2,1H3
InChIKey: DJCJOWDAAZEMCI-UHFFFAOYSA-N
SMILES: C1=NC(C)=CC=C1CO
CAS データベース: 34107 · 34107-46-5

化学的性質

化学的特性White Solid

安全と法規制

GHS分類

GHS Classification · 4 件

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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.