1-(2,4-ジメチル-1,3-オキサゾール-5-イル)エタノン

5-Acetyl-2,4-dimethyloxazole

HCID 318418

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 23012-25-1
標準SMILES: CC(=O)c1oc(C)nc1C
InChIKey: YJWCNOMJKJYKLQ-UHFFFAOYSA-N
分子式: C7H9NO2
平均分子量: 139.15 g/mol
単同位体質量: 139.06332853

概要

5-Acetyl-2,4-dimethyloxazole is an oxazole.

名称と識別子

優先名称: 5-Acetyl-2,4-dimethyloxazole
IUPAC: 1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone
現地名: 1-(2,4-ジメチル-1,3-オキサゾール-5-イル)エタノン
英語名: Ethanone, 1-(2,4-dimethyl-5-oxazolyl)- (9CI)
分子式: C7H9NO2
分子量: 139.15

名称と別名

23012-25-15-acetyl-2,4-dimethyloxazole1-(dimethyl-1,3-oxazol-5-yl)ethan-1-oneRefChem:10725951-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone1-(2,4-dimethyl-1,3-oxazol-5-yl)ethan-1-one1-(2,4-dimethyloxazol-5-yl)ethanoneEthanone, 1-(2,4-dimethyl-5-oxazolyl)-MFCD019344515-acetyl-2,4-dimethyl-1,3-oxazoleNSC254970NSC 254970

名称をさらに表示

1-(2,4-ジメチル-1,3-オキサゾール-5-イル)エタノンEthanone, 1-(2,4-dimethyl-5-oxazolyl)- (9CI)2-phenyl-5-(trifluoromethyl)-4-oxazolecarboxylic acid1-(2,4-Dimethyl-1,3-oxazol-5-yl)ethan-1-one, 2,4-Dimethyl-5-ethanoyl-1,3-oxazole

NSC-2549701-(2,4-Dimethyl-5-oxazolyl)ethanone2,4-dimethyl-5-acetyloxazoleLCY7CQ7XQYSCHEMBL210291DTXSID30312446CHEBI:166558YJWCNOMJKJYKLQ-UHFFFAOYSA-N

データベース識別子

CAS: 23012-25-1
PubChem CID: 318418
DTXSID: DTXSID30312446
ChEBI: CHEBI:166558
UNII: LCY7CQ7XQY
EC Number: 674-367-6
Nikkaji: J1.852.928I

物性

構造計算による物性

XLogP: 1.2
極性表面積: 43.1 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 147

物理化学的性質

融点: 170 · 170-172°C
沸点: 162 · 162-164 °C(Press: 785 Torr)
比重(密度): 1.074 · 1.074±0.06 g/cm3(Predicted)
酸解離定数(Pka): 0.19 · 0.19±0.10(Predicted)
外見: solid
色: Yellow
LogP: -0.738 · -0.738 (est)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

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)

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