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Merck

133329

Sigma-Aldrich

甲酰苯胺

99%

别名:

N-苯基甲酰胺

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About This Item

线性分子式:
C6H5NHCHO
CAS号:
分子量:
121.14
Beilstein:
906934
EC號碼:
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22

品質等級

化驗

99%

形狀

powder

bp

166 °C/14 mmHg (lit.)

mp

46-48 °C (lit.)

溶解度

water: soluble 25.4 g/L at 20 °C
water: soluble 28.6 g/L at 25 °C

密度

1.144 g/mL at 25 °C (lit.)

SMILES 字串

O=CNc1ccccc1

InChI

1S/C7H7NO/c9-6-8-7-4-2-1-3-5-7/h1-6H,(H,8,9)

InChI 密鑰

DYDNPESBYVVLBO-UHFFFAOYSA-N

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應用

甲酰苯胺被用于研究顺式反式甲酰苯胺的零电子动能谱(ZEKE)。它被用于通过双色(1+1′)共振增强多光子电离(REMPI)和ZEKE光谱研究反式-甲酰苯胺-水配合物的两个异构体的气相结构

儲存類別代碼

11 - Combustible Solids

水污染物質分類(WGK)

WGK 2

閃點(°F)

235.4 °F - closed cup

閃點(°C)

113 °C - closed cup

個人防護裝備

Eyeshields, Gloves, type N95 (US)


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分析证书(COA)

Lot/Batch Number

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Hydration of a cationic amide group: a ZEKE spectroscopic study of trans-formanilide-H2O.
Ullrich S, et al.
Physical Chemistry Chemical Physics, 4(13), 2897-2903 (2002)
ZEKE photoelectron spectroscopy of the cis and trans isomers of formanilide.
Susanne Ullrich et al.
Angewandte Chemie (International ed. in English), 41(1), 166-168 (2002-12-20)
Aminolysis and hydrolysis of formanilide in water solutions. V. Influence of the substituent in para-position.
B Bergstrand
Acta pharmaceutica Suecica, 22(1), 1-16 (1985-01-01)
Qin Wu et al.
The journal of physical chemistry. A, 110(29), 9212-9218 (2006-07-21)
It is shown that constrained density functional theory (DFT) can be used to access diabatic potential energy surfaces in the Marcus theory of electron transfer, thus providing a means to directly calculate the driving force and the inner-sphere reorganization energy.
Xue-Bo Chen et al.
Journal of the American Chemical Society, 126(29), 8976-8980 (2004-07-22)
In the present study, the five lowest electronic states that control the UV photodissociation of formanilide and benzamide have been characterized using the complete active space self-consistent field theory. The mechanisms for the initial relaxation and subsequent dissociation processes have

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