1555-80-2 (苯乙酸，1,1’-酸酐,Benzeneacetic acid,1,1'-anhydride)

快速询单

结构式：

苯乙酸，1,1’-酸酐MOL文件

CAS号：

1555-80-2

中文名称：

苯乙酸，1,1’-酸酐

英文名称：

Benzeneacetic acid,1,1'-anhydride

分子式：

C₁₆H₁₄O₃

分子量：

254.280564785004

苯乙酸，1,1’-酸酐(1555-80-2)名称与标识符

名称

英文别名：

Benzeneacetic acid,1,1'-anhydride;(2-phenylacetyl) 2-phenylacetate;Bis(benzeneacetic acid)anhydride;(PhCH2CO)2O;2-phenylacetic anhydride;diphenylacetic anhydride;phenylacetic acid anhydride;phenylacetic anhydride;Phenyl-essigsaeure-anhydrid;1555-80-2;DTXSID60311508;SCHEMBL248113;NSC243712;JAUFWTSSYRTLLB-UHFFFAOYSA-N;NSC-243712;

标识符

InChIKey：

JAUFWTSSYRTLLB-UHFFFAOYSA-N

Inchi：

1S/C16H14O3/c17-15(11-13-7-3-1-4-8-13)19-16(18)12-14-9-5-2-6-10-14/h1-10H,11-12H2

SMILES：

O(C(CC1C=CC=CC=1)=O)C(CC1C=CC=CC=1)=O

苯乙酸，1,1’-酸酐(1555-80-2)物化性质

实验特性

LogP : 2.54160
PSA : 43.37000
折射率 : 1.5600 (estimate)
沸点 : 357.5°C (rough estimate)
熔点 : 73.3°C
密度 : 1.1565 (rough estimate)

计算特性

精确分子量 : 254.09400
氢键供体数量 : 0
氢键受体数量 : 3
可旋转化学键数量 : 6
同位素质量 : 254.094294304g/mol
重原子数量 : 19
复杂度 : 269
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） : 3.1
拓扑分子极性表面积 : 43.4Å²

苯乙酸，1,1’-酸酐(1555-80-2)海关数据

海关编码：

2916399090

海关数据：

中国海关编码：

2916399090

概述：

2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 监管条件:无最惠国关税:6.5% 普通关税:30.0%

申报要素：

品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装

Summary：

2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

苯乙酸，1,1’-酸酐(1555-80-2)上下游

Benzeneacetic acid, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester Benzyl p-Toluylketone

苯乙酸，1,1’-酸酐(1555-80-2)相关文献

1. 64. Studies in the pyrone series. Part III. The influence of the phenyl group in the kostanecki reaction
I. M. Heilbron,D. H. Hey,B. Lythgoe J. Chem. Soc. 1936 295
2. Investigation of the active turn geometry for the labour delaying activity of indolizidinone and azapeptide modulators of the prostaglandin F2α receptor
Meriem K. Boukanoun,Xin Hou,Ljiljana Nikolajev,Sara Ratni,David Olson,Audrey Claing,Stéphane A. Laporte,Sylvain Chemtob,William D. Lubell Org. Biomol. Chem. 2015 13 7750
3. 2-Arylacetic anhydrides as ammonium enolate precursors
Louis C. Morrill,Lyndsay A. Ledingham,Jean-Philippe Couturier,Jasmine Bickel,Andrew D. Harper,Charlene Fallan,Andrew D. Smith Org. Biomol. Chem. 2014 12 624
4. Catalytic enantioselective synthesis of perfluoroalkyl-substituted β-lactones via a concerted asynchronous [2 + 2] cycloaddition: a synthetic and computational study
Diego-Javier Barrios Antúnez,Mark D. Greenhalgh,Alexander C. Brueckner,Daniel M. Walden,Pilar Elías-Rodríguez,Patrick Roberts,Benjamin G. Young,Thomas H. West,Alexandra M. Z. Slawin,Paul Ha-Yeon Cheong,Andrew D. Smith Chem. Sci. 2019 10 6162
5. CCCXCII.—Colloidal phenoxides. Part I. The relation between constitution and colloidal properties in benzo-γ-pyrones
Wilson Baker,Frances May Eastwood J. Chem. Soc. 1929 2897
6. 688. The course of the Perkin coumarin synthesis. Part I
Malcolm Crawford,J. A. M. Shaw J. Chem. Soc. 1953 3435
7. IX.—The action of sulphuryl chloride on organic substances. Part I. Simple monosubstituted benzenes
Thomas Harold Durrans J. Chem. Soc. Trans. 1922 121 44
8. Synthesis of the 3′-terminal half of yeast alanine transfer ribonucleic acid (tRNAAla) by the phosphotriester approach in solution. Part 1. Preparation of the nucleoside building blocks
Jonathan M. Brown,Chris Christodoulou,Simon S. Jones,Anil S. Modak,Colin B. Reese,Samson Sibanda,Aiko Ubasawa J. Chem. Soc. Perkin Trans. 1 1989 1735
9. Stereospecificity in the Perkin–oglialoro reaction. The stereochemical configurations of some substituted α-phenylcinnamic acids
Malcolm Crawford,G. W. Moore J. Chem. Soc. 1955 3445
10. The decarboxylative acylation of succinic acid derivatives. Part I. Benzamidosuccinic acid
Alexander Lawson J. Chem. Soc. 1954 3363