环丙基丙二酸二乙酯

1,3-Diethyl 2-cyclopropylpropanedioate

HCID 12704408CAS 42392-68-7

子结构检索查找相似结构

基本信息

标准SMILES: CCOC(=O)C(C(=O)OCC)C1CC1
InChIKey: YWONUDUUMCJFPN-UHFFFAOYSA-N
分子式: C10H16O4
平均分子量: 200.23 g/mol
单同位素质量: 200.10485899

名称与标识

首选名称: 1,3-Diethyl 2-cyclopropylpropanedioate
IUPAC: diethyl 2-cyclopropylpropanedioate
中文名: 环丙基丙二酸二乙酯
英文名: Diethyl Cyclopropylmalonate
分子式: C10H16O4
分子量: 200.23

名称与别名

42392-68-71,3-diethyl 2-cyclopropylpropanedioateRefChem:72652835-634-4diethyl cyclopropylmalonatediethyl 2-cyclopropylpropanedioatediethyl 2-cyclopropylmalonateMFCD25963390diethyl2-cyclopropylmalonateDiethyl cyclopropylpropanedioateSCHEMBL9209640YWONUDUUMCJFPN-UHFFFAOYSA-N

展开更多名称

环丙基丙二酸二乙酯2-环丙基丙二酸二乙酯二乙基 2-环丙基丙二酸酯propanedioic acid, cyclopropyl-, diethyl esterPropanedioic acid, 2-cyclopropyl-, 1,3-diethyl ester

DTXSID901284414SBA39268AKOS027338487AS-61969SY125911DB-0958792-cyclopropyl-propanedioic acid diethyl esterCS-0038375

数据库标识

CAS: 42392-68-7
PubChem CID: 12704408
DTXSID: DTXSID901284414
EC Number: 835-634-4
Nikkaji: J848.551H

性质

结构计算性质

XLogP: 2
极性表面积: 52.6 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 7
重原子: 14
形式电荷: 0
复杂度: 202

物理化学性质

沸点: 236.9 · 236.9±13.0 °C(Predicted)
密度: 1.122 · 1.122±0.06 g/cm3(Predicted)
储存条件: Store at room temperature
酸度系数(pKa): 13.43 · 13.43±0.20(Predicted)
外观: Colorless to light yellow Liquid
InChI: InChI=1S/C10H16O4/c1-3-13-9(11)8(7-5-6-7)10(12)14-4-2/h7-8H,3-6H2,1-2H3
InChIKey: YWONUDUUMCJFPN-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C(C1CC1)C(OCC)=O

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.

危害信息

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

化学与工业

试剂价格

XW024239268701 · 100MG: 2-环丙基丙二酸二乙酯 — 603元
XW024239268703 · 1G: 2-环丙基丙二酸二乙酯 — 2737元

供应商31 家

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

杭州辅润医药科技有限公司15658004993 · [email protected]

关联笔记

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