3-甲基-2-恶唑烷酮

2-Oxazolidinone, 3-methyl-

HCID 29831CAS 16112-59-7

子结构检索查找相似结构

基本信息

标准SMILES: CN1CCOC1=O
InChIKey: VWIIJDNADIEEDB-UHFFFAOYSA-N
分子式: C4H7NO2
平均分子量: 101.1 g/mol
单同位素质量: 101.04767846

名称与标识

首选名称: 2-Oxazolidinone, 3-methyl-
IUPAC: 3-methyl-1,3-oxazolidin-2-one
中文名: 4-甲基-2-唑烷酮
英文名: 2-Oxazolidinone, 4-methyl-
分子式: C4H7NO2
分子量: 101.1

名称与别名

3-Methyl-2-oxazolidone19836-78-32-OXAZOLIDINONE, 3-METHYL-3-Methyl-2-oxazolidinone3-Methyl-1,3-oxazolidin-2-oneN-MethyloxazolidoneBRN 0107744EINECS 243-361-1N-Methyl-2-oxazolidoneN-Methyl-2-oxazolidinone4-27-00-02517 (Beilstein Handbook Reference)DTXSID0066537

展开更多名称

4-甲基-2-唑烷酮4-甲基恶唑烷-2-酮4-甲基-2-恶唑烷酮4-甲基噁唑烷-2-酮4-甲基-1,3-恶唑啉-2-酮4-甲基-1,3-恶唑烷-2-酮4-methyloxazolidin-2-one4-Methyl-1,3-oxazolidin-2-one4-Methyl-2-Oxazolidinone4-methyloxazolidine-2-one2-Oxazolidinone, 4-methyl-

RefChem:88893DTXCID2036168InChI=1/C4H7NO2/c1-5-2-3-7-4(5)6/h2-3H2,1HVWIIJDNADIEEDB-UHFFFAOYSA-N3-Methyloxazolidin-2-one2-Oxo-3-methyloxazolidineMFCD000097592-Oxazolidinone,4-methyl-

数据库标识

CAS: 16112-59-7、19836-78-3
PubChem CID: 29831
DTXSID: DTXSID0066537
EC Number: 243-361-1
Nikkaji: J34.517B

性质

结构计算性质

XLogP: -0.1
极性表面积: 29.5 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 0
重原子: 7
形式电荷: 0
复杂度: 91.7

物理化学性质

熔点: 56 · 56-57 °C
沸点: 109 · 109-111 °C(Press: 2 Torr)
密度: 1.095 · 1.095±0.06 g/cm3(Predicted)
储存条件: 2 · Storage temp. 2-8°C
酸度系数(pKa): 12.84 · 12.84±0.40(Predicted)
形态: solid
外观: Colorless to light yellow Liquid
InChI: 1S/C4H7NO2/c1-3-2-7-4(6)5-3/h3H,2H2,1H3,(H,5,6)
InChIKey: VAJFEOKPKHIPEN-UHFFFAOYSA-N
SMILES: CC1COC(=O)N1

安全与法规

GHS分类

GHS Classification · 5 条

This chemical does not meet GHS hazard criteria for 3.5% (5 of 141) of reports.

Danger

H318 (75.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P273, P280, P305+P354+P338, P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 141 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Regulatory InformationChemical: 2-Oxazolidinone, 3-methyl-

Hazard Classes and CategoriesEye Dam. 1 (75.2%)

安全数据

wgk: WGK 3
存储类别: 11 - Combustible Solids
海关编码: 2934999090
危险品标志: Xn
危险性类别: Acute Tox. 4 Oral
危险类别码: 22

化学与工业

用途与制造

General Manufacturing Information2-Oxazolidinone, 3-methyl-: ACTIVE

上下游产品信息

上游原料

2,5-二甲基哌嗪二氧化碳

试剂价格

XW021611259704 · 5g: 4-甲基噁唑烷-2-酮4-Methyloxazolidin-2-one — 2720元
XW021611259703 · 1g: 4-甲基噁唑烷-2-酮4-Methyloxazolidin-2-one — 900元

供应商50 家

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

苏州道澜生物医药科技有限公司15952404857 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

南京凯美西化工有限公司02558748998 18951874644 · [email protected]

南京迪恩赛尔生物科技有限公司19951952469 · [email protected]

关联笔记

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