5-(ヒドロキシメチル)ピリミジン

(Pyrimidin-5-yl)methanol

HCID 15466386

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 25193-95-7
標準SMILES: OCc1cncnc1
InChIKey: TYRDEZUMAVRTEO-UHFFFAOYSA-N
分子式: C5H6N2O
平均分子量: 110.11 g/mol
単同位体質量: 110.04801282

名称と識別子

優先名称: (Pyrimidin-5-yl)methanol
IUPAC: pyrimidin-5-ylmethanol
現地名: 5-(ヒドロキシメチル)ピリミジン
英語名: 5-Pyrimidinemethanol
分子式: C5H6N2O
分子量: 110.11

名称と別名

5-Pyrimidinemethanol25193-95-7(pyrimidin-5-yl)methanolDTXSID50573017RefChem:406922DTXCID00523789690-842-05-(Hydroxymethyl)pyrimidinepyrimidin-5-ylmethanolMFCD037896235-hydroxymethylpyrimidinepyrimidine-5-methanol

名称をさらに表示

5-(ヒドロキシメチル)ピリミジン5-ピリミジンメタノールRARECHEM AK ML 05665-(Hydroxymethyl)pyrimidi...5-Pyrimidinemethanol (7CI,9CI)5-(Hydroxymethyl)pyrimidine 97%(PYRIMIDIN-5-YL)METHANOL,PURITY

5-pyrimidinylmethanolpyrimidin-5-yl-methanol5-pyrimidylmethyl alcoholpyrimidin-5-ylmethan-1-olSCHEMBL456193SCHEMBL456194SCHEMBL27729879TYRDEZUMAVRTEO-UHFFFAOYSA-N

データベース識別子

CAS: 25193-95-7
PubChem CID: 15466386
DTXSID: DTXSID50573017
EC Number: 690-842-0
Nikkaji: J1.485.956J

物性

構造計算による物性

XLogP: -1.2
極性表面積: 46 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 8
形式電荷: 0
複雑度: 61

物理化学的性質

融点: 51 · 51-52 °C
沸点: 250.8 · 250.8±15.0 °C(Predicted)
比重(密度): 1.227 · 1.227±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: solid
酸解離定数(Pka): 13.43 · 13.43±0.10(Predicted)
色: Yellow
CAS データベース: 25193 · 25193-95-7(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2 (50%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)

安全データ

hs_code: 2933599590

化学と産業

応用分野

使用5-Pyrimidinemethanol is a reagent used in the synthesis of melanin-concentrating hormone receptor 1 antagonists.Also used in the preparation of annulated 5-aryl-substituted pyridines.