2-(苯基磺酰)苯乙酮 | 3406-03-9
中文名称:
2-(苯基磺酰)苯乙酮
英文名称:
2-(Phenylsulfonyl)acetophenone
CAS No.:
3406-03-9
分子式:
C1 4 H1 2 O3 S
分子量:
260.3083
名称和标识符
MDL
MFCD00025043
InChIKey
DREVPGKOIZVPQV-UHFFFAOYSA-N
Inchi
1S/C14H12O3S/c15-14(12-7-3-1-4-8-12)11-18(16,17)13-9-5-2-6-10-13/h1-10H,11H2
SMILES
S(C1C([H])=C([H])C([H])=C([H])C=1[H])(C([H])([H])C(C1C([H])=C([H])C([H])=C([H])C=1[H])=O)(=O)=O
BRN
1879574
别名信息
- 中文别名 -
2-(苯基磺酰)苯乙酮
2-苯磺酰基苯乙酮
2-Phenylsulfonylacetophenone 2-苯磺酰基苯乙酮
- 英文别名 -
1-phenyl-2-(phenylsulphonyl)ethan-1-one
2-(PHENYLSULFONYL)ACETOPHENONE
2-PHENYLSULFONYLACETOPHENONE (ALPHA-)
2-Phenylsulfonylacetophenone
1-phenyl-2-(phenylsulfonyl)ethan-1-one
1-Phenyl-2-(phenylsulfonyl)ethanone
2-Benzenesulfonylacetophenone
Acetophenone,2-(phenylsulfonyl)
Ethanone,1-phenyl-2-(phenylsulfonyl)
Acetophenone, 2-(phenylsulfonyl)-
Phenacyl phenyl sulfone
Ethanone, 1-phenyl-2-(phenylsulfonyl)-
DREVPGKOIZVPQV-UHFFFAOYSA-N
NSC633013
benzoylmethyl phenyl sulfone
Bis(phenylsulfonyl)methane, 99%
NSC2698
alpha-PHENYLSULFONYLACETOPHENONE
phenacylphenyl sulfone
Phenyl phenacyl sulfone
phenylsulfonylacetophenone
Phen
.omega.-(Phenylsulfonyl)acetophenone
MFCD00025043
2-(benzenesulfonyl)-1-phenylethanone
NSC-2698
Ethanone, 1-phenyl-2-(phenylsulphonyl)-
D92020
NSC63073
J-800240
3406-03-9
FT-0634840
Benzoyl(phenylsulfonyl)methane
1-Phenyl-2-(phenylsulphonyl)ethan-1-one
1-Phenyl-2-(phenylsulphonyl)ethanone
F6UD8QA2EG
Acetophenone, 2-(phenylsulphonyl)-
CS-0204279
Phenylacyl phenyl sulfone
CHEMBL379738
P0828
2-(Phenylsulfonyl)acetophenone
NSC 63073
NSC 2698
EN300-213890
2-Benzenesulfonyl-1-phenyl-ethanone
J-640241
.alpha.-(Phenylsulfonyl)acetophenone
NSC-63073
2-(Phenylsulphonyl)acetophenone
AKOS002337153
1-Phenyl-2-(phenylsulfonyl)ethanone #
NS00015534
DTXSID20187660
EINECS 222-292-0
2-(benzenesulfonyl)-1-phenylethan-1-one
F0001-0997
Z57600638
SCHEMBL452973
benzoyl phenylsulfonyl methane
NCIOpen2_002746
2-(benzenesulfonyl)-1-phenyl-ethanone
NSC-633013
A851238
物化性质
实验特性
LogP
3.42400
PSA
59.59000
折射率
1.5050 (estimate)
沸点
373.57°C (rough estimate)
熔点
91.0 to 95.0 deg-C
闪点
305°C
颜色与性状
浅黄色晶体状粉末
溶解性
未确定
密度
1.2959 (rough estimate)
计算特性
精确分子量
260.05100
氢键供体数量
0
氢键受体数量
3
可旋转化学键数量
4
同位素质量
260.051
重原子数量
18
复杂度
368
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)
2.6
互变异构体数量
2
表面电荷
0
拓扑分子极性表面积
59.6
海关数据
海关编码
2914700090
海关数据
中国海关编码:
2914700090
概述:
2914700090 其他酮及醌的卤化、磺化衍生物(包括硝化和亚硝化衍生物). 增值税率:17.0% 退税率:9.0% 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:
HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%
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参考资料
Reaxys RN
1879574
Beilstein
8(4)412
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