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142719

Sigma-Aldrich

苯甲酸苯酯

99%

别名:

安息香酸苯酯

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About This Item

线性分子式:
C6H5CO2C6H5
CAS号:
93-99-2
分子量:
198.22
Beilstein:
1566346
EC號碼:
202-293-2
MDL號碼:
MFCD00003072
分類程式碼代碼:
12352100
PubChem物質ID:
24848534
NACRES:
NA.22

品質等級

100

化驗

99%

形狀

solid

bp

298-299 °C (lit.)

mp

68-70 °C (lit.)

溶解度

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

官能基

ester
phenoxy
phenyl

SMILES 字串

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 密鑰

FCJSHPDYVMKCHI-UHFFFAOYSA-N

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相关类别

一般說明

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。

應用

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 。

象形圖

Exclamation mark
GHS07

訊號詞

Warning

危險聲明

H302,H315

危險分類

Acute Tox. 4 Oral - Skin Irrit. 2

儲存類別代碼

11 - Combustible Solids

水污染物質分類（WGK）

WGK 3

閃點（°F）

Not applicable

閃點（°C）

Not applicable

個人防護裝備

dust mask type N95 (US), Eyeshields, Gloves

从最新的版本中选择一种：

分析证书(COA)

Lot/Batch Number
STBF6278V
S78617V
S78617
MKAA1921
09157

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Sigma-Aldrich

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Sigma-Aldrich

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倍硫磷 PESTANAL®, analytical standard

Supelco

36552

倍硫磷

苯甲酸酐 ≥95%

Sigma-Aldrich

385980

苯甲酸酐

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
SYNTHESIS OF SOLUBLE HIGH Tg POLYIMIDES UTILIZING ESTER-ACID DIANHYDRIDE DERIVATIVES.
Moy TM, et al.
Advances in Polyimide Science and Technology: Proceedings of the Fourth International Conference on Polyimides (1993)
The crystal structure of phenyl benzoate.
Adams JM and Morsi SE.
Acta Crystallographica Section B, Structural Crystallography and Crystal Chemistry, 32(5), 1345-1347 (1976)
Fries rearrangement of aryl esters catalysed by heteropoly acid.
Kozhevnikova EF, et al.
Applied Catalysis A: General, 245(1), 69-78 (2003)
Daun Jung et al.
Journal of applied toxicology : JAT, 36(9), 1129-1136 (2015-12-23)
In vitro testing methods for classifying sensitizers could be valuable alternatives to in vivo sensitization testing using animal models, such as the murine local lymph node assay (LLNA) and the guinea pig maximization test (GMT), but there remains a need
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Fries Rearrangement

The Fries rearrangement reaction is an organic name reaction which involves the conversion of phenolic esters into hydroxyaryl ketones on heating in the presence of a catalyst. Suitable catalysts for this reaction are Brønsted or Lewis acids such as HF, AlCl3, BF3, TiCl4, or SnCl4. The Fries rearrangement reaction is an ortho, para-selective reaction, and is used in the preparation of acyl phenols. This organic reaction has been named after German chemist Karl Theophil Fries.

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