2,5-二甲基呋喃 | 625-86-5
中文名称:
2,5-二甲基呋喃
英文名称:
2,5-Dimethylfuran
CAS No.:
625-86-5
分子式:
C6 H8 O
分子量:
96.12712
名称和标识符
MDL
MFCD00003250
InChIKey
GSNUFIFRDBKVIE-UHFFFAOYSA-N
Inchi
1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3
SMILES
CC1=CC=C(C)O1
BRN
106449
别名信息
- 中文别名 -
2,5-二甲基呋喃
2,5-二甲基氧杂茂
2,5-二甲呋喃
2,5-二甲基氧(杂)茂
- 英文别名 -
2,5-Dimethylfuran
2,5-dimethyl-fura
FEMA 4106
DIMETHYL FURAN
Furan, 2,5-dimethyl-
2,5diMethylturan
1,5-Dimethylfurane
2,4-DIMETHOXYTHIOPHENOL
2,5-dimethylylfuran
EINECS 210-914-3
Furan,2,5-dimethyl
物化性质
实验特性
LogP
1.89640
PSA
13.14000
折射率
n20/D 1.441(lit.)
水溶性
Slightly miscible with water. Miscible with ethanol and fats.
沸点
92-94 °C(lit.)
熔点
−62 °C (lit.)
闪点
华氏:44.6 °F 摄氏:7 °C
FEMA
3282
颜色与性状
无色至浅黄色液体。
溶解性
溶于乙醇、乙醚、丙酮、氯仿和苯,不溶于水。
密度
0.903 g/mL at 25 °C(lit.)
计算特性
精确分子量
96.05750
氢键供体数量
0
氢键受体数量
1
可旋转化学键数量
0
同位素质量
96.058
重原子数量
7
复杂度
53.2
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
无
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
13.1A^2
海关数据
海关编码
29321900
海关数据
中国海关编码:
29321900
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参考资料
Reaxys RN
106449
Beilstein
106449
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