2,4-恶唑烷二酮

2,4-Oxazolidinedione

HCID 97389CAS 12770-97-7

子结构检索查找相似结构

基本信息

标准SMILES: O=C1COC(=O)N1
InChIKey: COWNFYYYZFRNOY-UHFFFAOYSA-N
分子式: C3H3NO3
平均分子量: 101.06 g/mol
单同位素质量: 101.01129296

概述

structure given in first source

名称与标识

首选名称: 2,4-Oxazolidinedione
IUPAC: 1,3-oxazolidine-2,4-dione
中文名: 2,4-恶唑烷二酮
英文名: 2,4-OXAZOLIDINEDIONE
分子式: C3H3NO3
分子量: 101.06

名称与别名

2,4-Oxazolidinedione2346-26-12,4-OxazolidenedioneNSC-120350R22D15229RDTXSID60894083RefChem:443942DTXCID401324124OXAZOLIDINE-2,4-DIONE1,3-oxazolidine-2,4-dioneOxazolidinedioneMFCD02691902

展开更多名称

吗多明杂质102,4-噁唑烷二酮2,4-恶唑烷二酮噁唑烷-2,4-二酮恶唑烷-2,4-二酮Oxazolidin-2,4-dione2-2,4-OXAZOLIDINEDIONE9-chloronicotinaldehyde2,4-Oxazolidinedione (7CI, 8CI, 9CI, ACI)

NSC 12035012770-97-7hydroxyoxazolinone1,3-oxazolidin-2,4-dioneUNII-R22D15229RCMLDBU000035112,4oxazolidinedione2,4oxa

数据库标识

CAS: 12770-97-7、2346-26-1
PubChem CID: 97389
DTXSID: DTXSID60894083
UNII: R22D15229R
EC Number: 874-748-9
Nikkaji: J1.024.458G

性质

结构计算性质

XLogP: -0.5
极性表面积: 55.4 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 0
重原子: 7
形式电荷: 0
复杂度: 119

物理化学性质

熔点: 89 · 89-90 °C
沸点: 173 °C · 173 °C(Press: 11 Torr)
密度: 1.469 · 1.469±0.06 g/cm3(Predicted)
储存条件: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸度系数(pKa): 6 · 6.00±0.50(Predicted)
外观: White to light yellow Solid

安全与法规

GHS分类

GHS Classification · 4 条

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, 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.