2,3-二甲基呋喃

2,3-Dimethylfuran

HCID 34337CAS 14920-89-9

子结构检索查找相似结构

基本信息

标准SMILES: Cc1ccoc1C
InChIKey: FJSKXQVRKZTKSI-UHFFFAOYSA-N
分子式: C6H8O
平均分子量: 96.13 g/mol
单同位素质量: 96.05751488

名称与标识

首选名称: 2,3-Dimethylfuran
IUPAC: 2,3-dimethylfuran
中文名: 2,3-二甲基呋喃
英文名: 2,3-Dimethylfuran
分子式: C6H8O
分子量: 96.13

名称与别名

2,3-Dimethylfuran14920-89-9DTXSID301027759RefChem:1059481DTXCID9037878626-651-6Furan, dimethyl-Dimethyl furanFuran, 2,3-dimethyl-DIMETHYLFURAN2,3-Dimethyl-furan28802-49-5

展开更多名称

2,3-甲基呋喃呋喃烯啶杂质202,3-二甲基呋喃2,3-二甲基呋喃*52,3-二甲基呋喃,99%Furagin Impurity 202,3-Dimethylfuran>2,3-Dimethylfuran 99%2,3-Dimethylfuran 99%2,3-Dimethylfuran,99%2,3-Dimethylfuran, GC 99%2,3-DiMethylfuran, 99% 1GR

MFCD00153893Dimethyl furaneEINECS 249-235-22,3-Dimethylfuran, 99%SCHEMBL115390SCHEMBL466372CHEMBL108232orb3132290

数据库标识

CAS: 14920-89-9、28802-49-5
PubChem CID: 34337
DTXSID: DTXSID301027759
ChEMBL: CHEMBL108232
EC Number: 249-235-2、626-651-6
Nikkaji: J498.240A

性质

结构计算性质

XLogP: 1.8
极性表面积: 13.1 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 0
重原子: 7
形式电荷: 0
复杂度: 61.2

实验与物化性质

SpringerMaterials PropertiesOptical coefficient

物理化学性质

熔点: -62.8 °C · -62.8°C (estimate)
沸点: 42 °C/115 · 42 °C/115 mmHg (lit.)
密度: 0.91 g/mL · 0.91 g/mL at 25 °C (lit.)
折射率: 20 · n20/D 1.443(lit.)
闪点: 30 °F · 30 °F
储存条件: Flammables area
形态: clear liquid
颜色: Colorless to Yellow to Green
比重: 0.919 · 0.919
水溶解性: Insoluble in water.
BRN: 104572 · 104572
InChI: 1S/C6H8O/c1-5-3-4-7-6(5)2/h3-4H,1-2H3
InChIKey: FJSKXQVRKZTKSI-UHFFFAOYSA-N
SMILES: Cc1ccoc1C
CAS 数据库: 14920 · 14920-89-9(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 6 条

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

危害信息

Hazard Classes and Categories · 2 条

Flam. Liq. 2 (100%)

安全数据

wgk: 3
包装类别: II
危险等级: 3
存储类别: 3 - Flammable liquids
安全说明: 16-36
海关编码: 29321900
危险品标志: F,Xn
危险性类别: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 2
危险类别码: 11-20/21/22
危险品运输编号: UN 1993 3/PG 2