1,4-ペンタジエン-3-オン

1,4-Pentadien-3-one

HCID 543199

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1890-28-4
標準SMILES: C=CC(=O)C=C
InChIKey: UCUUFSAXZMGPGH-UHFFFAOYSA-N
分子式: C5H6O
平均分子量: 82.1 g/mol
単同位体質量: 82.04186481

名称と識別子

優先名称: 1,4-Pentadien-3-one
IUPAC: penta-1,4-dien-3-one
現地名: 1,4-ペンタジエン-3-オン
英語名: 1,4-Pentadien-3-one
分子式: C5H6O
分子量: 82.1

名称と別名

1,4-Pentadien-3-oneDTXSID60337521RefChem:1053344DTXCID00288609penta-1,4-dien-3-one1890-28-4DIVINYL KETONE3-Pentadienonevinyl ketoneF5WPQ70H2LJ150.179HUNII-F5WPQ70H2L

名称をさらに表示

ジビニルケトン1,4-ペンタジエン-3-オンdivinylketone 3-pentadienone

MFCD09754433Pent-1,4-diene-3-oneSCHEMBL26681orb1697384SCHEMBL2859859SCHEMBL12119845SCHEMBL16087626AKOS017342870

データベース識別子

CAS: 1890-28-4
PubChem CID: 543199
DTXSID: DTXSID60337521
UNII: F5WPQ70H2L
EC Number: 807-671-6
Nikkaji: J150.179H

物性

構造計算による物性

XLogP: 1.1
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 6
形式電荷: 0
複雑度: 71

物理化学的性質

沸点: 49 °C · 49 °C(Press: 100 Torr)
比重(密度): 0.8811 g/cm3 · 0.8811 g/cm3
溶解性: sol most common solvents

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger 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]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P370+P378, P403+P233, P403+P235, 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.

化学と産業

応用分野

使用1,4-Pentadien-3-one is highly reactive, easily polymerized, used as polyfunctional annulation reagent; generally reacts by adding nucleophiles, dienes or radicals.