Piconol (HCID 11474)

概要

2-Pyridinylmethanol is a member of pyridines.

名称と識別子

優先名称: Piconol
IUPAC: pyridin-2-ylmethanol
現地名: 2-ピリジンメタノール
英語名: 2-(Hydroxymethyl)pyridine
分子式: C6H7NO
分子量: 109.13

名称と別名

2-PYRIDINEMETHANOLpyridin-2-ylmethanolPiconol2-PyridylmethanolPyridine-2-methanol2-Pyridyl carbinolPiconol [INN]Piconolum [Latin]DTXSID8046531UNII-7HQ8UT1TPS7HQ8UT1TPSEINECS 209-592-7

名称をさらに表示

2-ピリジンメタノール2-ピリジニルメタノール2-(ヒドロキシメチル)ピリジン2-ピリジルメタノール2-ヒドロキシメチルピリジンピコノールピリジン-2-カルビノール2-ピリジルカルビノールピリジン-2-メタノール2ヒドロキシメチルピリジン2‐ピリジンメタノール(ピリジン-2-イル)メタノール2-Pyridine(S)-Tryptophan Methyl ester hydrochloridePyridineMethanol2-PYRIDINYLMETHANOLPYRIDIN-2-YL-METHANOL2-Pyridine methanol(2-hydromethyl pyridine)

NSC-760363BRN 0107849DTXCID60265315-21-02-00150 (Beilstein Handbook Reference)Piconolum (Latin)NSC 7603632pyridylcarbinol2pyridylmethanol

データベース識別子

CAS: 586-98-1
PubChem CID: 11474
DTXSID: DTXSID8046531
ChEMBL: CHEMBL2103981
ChEBI: CHEBI:195070
UNII: 7HQ8UT1TPS
EC Number: 209-592-7
Nikkaji: J32.889H

物性

構造計算による物性

XLogP: 0.1
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: 8
形式電荷: 0
複雑度: 65.5

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Pyridines

SpringerMaterials PropertiesSurface tension

LogP0.06

Vapor Pressure0.02 [mmHg]

Physical DescriptionClear hygroscopic liquid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 5 °C · 5 °C
沸点: 112 · 112-113 °C/16 mmHg (lit.)
比重(密度): 1.131 g/mL · 1.131 g/mL at 25 °C (lit.)
蒸気圧: 3.47 Pa · 3.47Pa at 25℃
屈折率: 20 · n20/D 1.543(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · 2-8°C
溶解性: 混和性
外見: 液体
酸解離定数(Pka): 13.48 · 13.48±0.10(Predicted)
色: 無色透明～黄色または茶色
比重: 1.131 · 1.131
PH: 6 · 6-8 (100g/l, H2O, 20℃)
臭い (Odor): ピリジン臭
水溶解度: 混和性
BRN: 107849 · 107849
InChI: 1S/C6H7NO/c8-5-6-3-1-2-4-7-6/h1-4,8H,5H2
InChIKey: SHNUBALDGXWUJI-UHFFFAOYSA-N
SMILES: OCc1ccccn1
LogP: 0.11 · 0.11
CAS データベース: 586 · 586-98-1(CAS DataBase Reference)
NISTの化学物質情報: Piconol(586-98-1)

化学的性質

化学的特性CLEAR COLORLESS TO YELLOW OR BROWN LIQUID

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (87.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 57 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 12-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19922

2-Pyridylmethanol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntravenous LD50 (mouse) = 1,000 mg/kg; [RTECS] A skin and strong eye irritant; Harmful by ingestion; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (87.7%)

安全データ

F: 3-8
wgk: 3
rtecs: UT4689000
hs_code: 29333999
risk_code: 36/37/38-22
化審法: (5)-3694
消防法: 危-4-3-III
hazard_code: Xi,Xn
hazard_note: Irritant/Keep Cold/Hygroscopic
safety_code: 26-36-37/39
hazard_class: IRRITANT, HYGROSCOPIC, KEEP COLD
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野

使用decongestant

調製方法 · 1 件

製造方法The preparation of 2-(Hydroxymethyl)pyridine is as follows:NaOH (0.5 g, 12.5 mmol), Al2O3 (2.0 g, 19.6 mmol), aldehyde 1f-g (2 mmol) and H2O (400 μL) were grinded in a mortar. Next, the paste were placed in a glass 10 mL pressure vials and reaction was carried out in microwave reactor: standard mode (200 W), 100 °C, 2 min. After that, reaction mixture was extracted with DCM (2 × 20 mL). Organic layer was evaporated under reduce pressure yielding 2f-g. Solid residue was washed by water (2 × 15 mL). Aqueous phase was acidify with 1N HCl to pH 5.5 and centrifuged. After that aqueous layer was pour down and precipitate was lyophilisated. Products 3f-g were obtained as white solids.