5,7-二甲基-3,4-二氢-2H-1-萘酮 | 13621-25-5
5,7-二甲基-3,4-二氢-2H-1-萘酮
5,7-Dimethyl-1-tetralone
13621-25-5
C12H14O
174.238963603973
名称和标识符
MDL |
MFCD00001694 |
InChIKey |
UYJCNOMEGPDXMV-UHFFFAOYSA-N |
Inchi |
1S/C12H14O/c1-8-6-9(2)10-4-3-5-12(13)11(10)7-8/h6-7H,3-5H2,1-2H3 |
SMILES |
O=C1CCCC2C(C)=CC(C)=CC=21 |
别名信息
- 中文别名 -
- 5,7-二甲基-3,4-二氢-2H-1-萘酮
- 5,7-二甲基-1-四氢萘酮
- 3,4-二氢-5,7-二甲基-1(2H)-萘酮
- 5,7-二甲基-1-萘满酮
- 5,7-二甲基四氢萘酮
- 英文别名 -
- 5,7-Dimethyl-3,4-dihydronaphthalen-1(2H)-one
- 5,7-DIMETHYL-1-TETRALONE
- 5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one
- 1(2H)-Naphthalenone,3,4-dihydro-5,7-dimethyl
- 1,2,3,4-tetrahydro-5,7-dimethylnaphthalen-1-one
- 5,7-dimethyl-3,4-dihydro-1(2H)-naphthalenone
- 5,7-dimethyl-3,4-dihydronaphth-1-one
- 7-diMethyl-
- 4-dihydro-5
- AKOS BC-0291
- Einecs 237-104-2
- 5,7-Dimethyltetralin-1-one
- 3,4-Dihydro-5,7-dimethyl-1(2H)-naphthalenone
- 3,4-dihydro-5,7-dimethylnaphthalen-1(2H)-one
- 5,7-Dimethyl-1-tetralone 97%
- DTXSID50159734
- 13621-25-5
- A807042
- EINECS 237-104-2
- 3,4-dihydro-5,7-dimethyl-1(2h)-naphthalenone
- HMS1786C14
- AB01099068-03
- NSC63113
- Y11681
- Z56899183
- 5,7-Dimethyl-3,4-dihydro-1(2H)-naphthalenone
- AM9128
- EN300-17248
- NSC 63113
- MFCD00001694
- 5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-one
- 5,7-Dimethyl-1-tetralone
- NCGC00336177-01
- 3,4-Dihydro-5,7-dimethylnaphthalen-1(2H)-one
- C9MMT5Y6ZU
- 1(2H)-Naphthalenone, 3,4-dihydro-5,7-dimethyl-
- 1(2H)-Naphthalenone,4-dihydro-5,7-dimethyl-
- WS-02014
- J-006822
- 5,7-dimethyl-3,4-dihydronaphthalen-1(2h)-one
- CS-0280394
- FT-0636930
- 5,7-Dimethyl-1-tetralone, 97%
- NSC-63113
- AKOS001044133
- SCHEMBL702951
- 5,7-Dimethyl-1,2,3,4-tetrahydro-1-naphthalenone
- 5,7-dimethyltetralone
物化性质
实验特性
LogP |
2.82240 |
PSA |
17.07000 |
折射率 |
1.5370 (estimate) |
沸点 |
98-100 °C/0.2 mmHg(lit.) |
熔点 |
48-50 °C (lit.) |
闪点 |
华氏:>235.4 °F 摄氏:>113 °C
|
密度 |
0.9540 (rough estimate) |
计算特性
精确分子量 |
174.10400 |
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 |
174.104 |
重原子数量 |
13 |
复杂度 |
209 |
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) |
2.8 |
互变异构体数量 |
2 |
表面电荷 |
0 |
拓扑分子极性表面积 |
17.1A^2 |
海关数据
海关编码 |
2914399090 |
海关数据 |
中国海关编码:
2914399090
概述:
2914399090. 其他不含其他含氧基的芳香酮. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 丙酮报明包装
Summary:
2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%
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