β-苯基苯丙酮 | 1083-30-3
β-苯基苯丙酮
3-Phenylpropiophenone
1083-30-3
C15H14O
210.2711
名称和标识符
MDL |
MFCD00039563 |
InChIKey |
QGGZBXOADPVUPN-UHFFFAOYSA-N |
Inchi |
1S/C15H14O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2 |
SMILES |
O=C(C1C([H])=C([H])C([H])=C([H])C=1[H])C([H])([H])C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H] |
BRN |
1910661 |
别名信息
- 中文别名 -
- β-苯基苯丙酮
- 3-苯基苄基酮
- 1,3-二苯基-1-丙酮
- 1,3-二苯基丙-1-酮
- 2''-溴-2,4-二氯苯丙酮
- 2-溴-2,4-二氯苯丙酮
- 3-苯基苯丙酮
- ω-苄基苯乙酮
- 二氢查耳酮
- 瓦地那非
- 1,3-二苯基-1丙酮
- 英文别名 -
- 1,3-Diphenylpropan-1-one
- 1,3-Diphenyl-1-propanone
- 3-Phenylpropiophenone
- BETA-PHENYLPROPIOPHENONE
- β-Phenylpropiophenone
- Dihydrochalcone
- Benzylacetophenone
- Hydrochalcone
- Hydrocinnamophenone
- 1,3-Diphenyl-1-oxopropane
- Phenethyl phenyl ketone
- Phenyl phenethyl ketone
- 2-Phenethyl phenyl ketone
- .omega.-Benzyl acetophenone
- 1,3-Diphenyl-3-propanone
- 1-Propanone, 1,3-diphenyl-
- Propiophenone, 3-phenyl-
- .beta.-Phenylpropiophenone
- omega-Benzyl acetophenone
- BENZYL ACETOPHENONE
- 1,3-diphenyl-propan-
- EU-0066881
- ChemDiv2_000107
- Q2357209
- FT-0622933
- Z385416922
- SR-01000390066-1
- w-Benzylacetophenone
- 3-Phenyl-Propiophenone
- 1, 3-Diphenyl-3-propanone
- AKOS001586597
- BB 0221108
- 1,3 diphenylpropan-1-one
- laquo Omegaraquo -benzyl acetophenone
- EN300-102554
- GS-3688
- ?-Phenylpropiophenone
- HMS1369E19
- SR-01000390066
- CHEMBL490512
- 1-Propanone,3-diphenyl-
- NSC 12245
- H5W525SX7Q
- NSC12245
- A801855
- SCHEMBL30572
- DTXSID7061481
- 1083-30-3
- UNII-H5W525SX7Q
- 3-?Phenylpropiophenone
- 1-Benzoyl-2-phenylethane
- AI3-22096
- AC9766
- CS-0063340
- D5479
- SY045967
- 1,3-diphenylpropan-1-one
- beta-phenyl propiophenone
- MFCD00039563
- 3-Phenyl propiophenone
- Benzylacetophenon
- CHEBI:71231
- BDBM50479153
- AMY24269
- LMPK12120464
- 1-Propanone,1,3-diphenyl-
- beta-Phenylpropiophenone
- NSC-12245
- 1,3-diphenyl-propan-1-one
- A-Phenylpropiophenone
物化性质
实验特性
LogP |
3.50210 |
PSA |
17.07000 |
折射率 |
1.574 |
水溶性 |
Insoluble in water. |
沸点 |
360°C(lit.) |
熔点 |
70.0 to 74.0 deg-C |
闪点 |
152.9 °C |
颜色与性状 |
白色叶状晶体。 |
溶解性 |
未确定 |
最大波长(λmax) |
330(Cyclohexane)(lit.) |
密度 |
1.061 |
计算特性
精确分子量 |
210.10400 |
氢键供体数量 |
0 |
氢键受体数量 |
1 |
可旋转化学键数量 |
4 |
同位素质量 |
210.104465 |
重原子数量 |
16 |
复杂度 |
210 |
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) |
3.5 |
互变异构体数量 |
2 |
表面电荷 |
0 |
拓扑分子极性表面积 |
17.1 |
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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