5-phenyl-1H-pyrazin-2-one

HCID 599037

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 25844-72-8
標準SMILES: O=c1cnc(-c2ccccc2)c[nH]1
InChIKey: BMGVFXUMEAYBAO-UHFFFAOYSA-N
分子式: C10H8N2O
平均分子量: 172.18 g/mol
単同位体質量: 172.06366288

名称と識別子

優先名称: 5-phenyl-1H-pyrazin-2-one
IUPAC: 5-phenyl-1H-pyrazin-2-one
英語名: 5-PHENYL-1H-PYRAZIN-2-ONE
分子式: C10H8N2O
分子量: 172.18

名称と別名

5-phenyl-1H-pyrazin-2-one25844-72-85-Phenylpyrazin-2(1H)-one5-Phenyl-1,2-dihydropyrazin-2-oneMFCD082776205-phenylpyrazin-2-ol2(1H)-Pyrazinone, 5-phenyl-2(1H)-Pyrazinone,5-phenyl-5-phenylpyrazinol5-phenyl pyrazinone5-Phenyl-2-pyrazinol5-Phenyl-pyrazin-2-ol

名称をさらに表示

5-Phenyl-2-pyrazinol #5-Phenyl-2-hydroxypyrazine5-phenylpyrazin-2(1H)oneSCHEMBL6951965-Phenyl-2-(1H)-pyrazinoneSCHEMBL81367235-phenyl-2-(1-H)-pyrazinonePyrazine, 2-hydroxy-5-phenyl-

データベース識別子

CAS: 25844-72-8
PubChem CID: 599037
DTXSID: DTXSID70344721
EC Number: 127-484-7
Nikkaji: J1.175.411B

物性

構造計算による物性

XLogP: 0.9
極性表面積: 41.5 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: 13
形式電荷: 0
複雑度: 262

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, 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)

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