CAS 123-91-1|1,4-DIOXANE, ACS GRADE|1,4-DIOXANE, HPLC/SPECTRO GRADE|1,4-DIOXANE, ANHYDROSOLV GRADE|Dioxanne|Tetrahydro-1,4-Dioxin|p-Dioxane|Diethylene Ether|p-DIOXANE|1,4-diethylene dioxide|1,4-Diet...

基本信息

化学结构

分子式

C₄H₈O₂

分子量

88.10512

精确质量

88.0524295

电荷

0

InChI

InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2

InChIKey

RYHBNJHYFVUHQT-UHFFFAOYSA-N

Canonic Smiles

O1CCOCC1

Isomeric Smiles

C1COCCO1

计算属性

JChem

LogD (pH = 7.4)

-0.09

LogD (pH = 5.5)

-0.09

Log P

-0.09

可自由旋转的化学键

0

质子供体

0

质子受体

2

里宾斯基五规则

true

Acid pKa

-3.85

极化表面积

18.46

极化性

8.97

摩尔折射率

22.09

LOG S

0.17

数据来源

学术数据

数据来源

名称和标识

别名

1,4-DIOXANE, ACS GRADE1,4-DIOXANE, HPLC/SPECTRO GRADE1,4-DIOXANE, ANHYDROSOLV GRADEDioxanneTetrahydro-1,4-Dioxinp-DioxaneDiethylene Etherp-DIOXANE1,4-Diethylene Dioxide1,4-Dioxacyclohexane1,4-Dioxane, dry1,4-Diethylene Dioxidep-Dioxane1,4-DIOXANE, HISTOLOGICAL GRADE[1,4]Dioxane1,4-Dioxane[6]-crown-21,4-Dioxane solutionDioxane二恶烷1,4-二氧六环溶液1,4-二氧六环Diethylene oxide1,4-Dioxane四氢呋喃1,4-Dioxane, HPLC Grade1,4-二噁烷, HPLC级1,4-二恶烷1,4-Dioxane, ACS1,4-二氧六环, 无水1,4-二氧六环, ACS1,4-Dioxane, anhydrousDioxan-1,41,4-Dioxan1,4-dioxanep-Dioxane1,4-dioxacyclohexane1,4-Dioxanedi(ethylene oxide)dioxane-1,4tetrahydro-para-dioxinglycol ethylene ethertetrahydro-1,4-dioxintetrahydro-p-dioxin1,4-DIETHYLENE DIOXIDE

IUPAC传统名

1,4-diethylene dioxide dioxane

IUPAC标准名

1,4-dioxane

名称和标识

数据登录号

EC号

200-659-6204-661-8232-148-9

CAS号

MDL号

Beilstein号

默克索引号

PubChem CID

美国药典/FDA物质标识码

Chemspider ID

CHEBI ID

47032CHEBI:34064CHEBI:47032CHEBI:46925CHEBI:41951

KEGG ID

DrugBank ID

CHEMBL

维基百科标题

专利号

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

BRENDA Ligand数据库

9759174397202494

PubMed文献链接

180445072059843914550759

SureChEMBL数据库

ACToR数据库

LINCS数据库

MetaboLights数据库

CompTox数据库

UniProt数据库

PPDB数据库

BKMS React数据库

Reaxys Registry

NMRShiftDB数据库

PDBeChem数据库

数据登录号

化合物性质

安全信息

Highly Flammable/Irritant/Carcinogenic

Hygroscopic

F1

Room Temperature (15-30°C), Store Under Nitrogen, Protect from light

2YE

环境危害性 (N)

化合物性质

分子相关蛋白质

分子相关蛋白质

分子图谱

暂无数据

点击上传数据

描述信息

DrugBank

DB03316

Drug information: experimental

MP Biomedicals

02150967

Common solvent in which derivatives of amino acids are formed for peptide synthesis.
1 ml = approx. 1.03 g

Wikipedia

1,4-Dioxane

Sigma Aldrich

631876