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142719

苯甲酸苯酯

Name: 苯甲酸苯酯
Brand: ALDRICH

99%

别名:

安息香酸苯酯

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关于此项目

线性分子式:

C₆H₅CO₂C₆H₅

化学文摘社编号:

93-99-2

分子量:

198.22

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24848534

EC Number:

202-293-2

Beilstein/REAXYS Number:

1566346

MDL number:

MFCD00003072

Assay:

99%

Form:

solid

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属性

Quality Level

100

assay

99%

form

solid

bp

298-299 °C (lit.)

mp

68-70 °C (lit.)

solubility

alcohol: freely soluble (hot), diethyl ether: slightly soluble, water: insoluble

functional group

ester, phenoxy, phenyl

SMILES string

O=C(Oc1ccccc1)c2ccccc2

InChI

1S/C13H10O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H

InChI key

FCJSHPDYVMKCHI-UHFFFAOYSA-N

说明

General description

苯甲酸苯酯是苯甲酸的苯基酯。苯甲酸苯酯的晶体结构已由844微密度计测量的强度确定。据报告，所有键长和键角均正常。苯甲酸苯酯在杂多酸催化下通过Fries重排反应生成酰化苯酚和酯。

苯甲酸苯酯作为前体，通过分子内芳基-芳基偶联反应产生用于合成(−)五加酮的中间体。

Application

苯甲酸苯酯曾被用于以二酸酐/二胺衍生物合成可溶性聚酰亚胺的过程。

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pictograms

GHS07

signalword

Warning

hcodes

H302,H315

pcodes

P264 - P270 - P280 - P301 + P312 - P302 + P352 - P332 + P313

Hazard Classifications

Acute Tox. 4 Oral - Skin Irrit. 2

存储类别

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Journal of applied toxicology : JAT, 36(9), 1129-1136 (2015-12-23)

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Takeda S, et al.

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Kaoru Matsushita et al.

Chemistry, an Asian journal, 13(17), 2393-2396 (2018-05-03)

A decarbonylative C-H coupling of azoles and aromatic esters by palladium catalysis is described. Our previously reported Ni-catalyzed C-H coupling of azoles and aromatic esters has a significant drawback regarding the substrate scope. Herein, we employ palladium catalysis instead of

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全球贸易项目编号

货号	GTIN
374687-1G	04061826696330
142719-100G	04061838734440
142719-5G	04061838734457