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Merck
CN

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 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22

质量水平

方案

99%

表单

powder

沸点

166 °C/14 mmHg (lit.)

mp

46-48 °C (lit.)

溶解性

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字符串

O=CNc1ccccc1

InChI

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

InChI key

DYDNPESBYVVLBO-UHFFFAOYSA-N

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应用

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

储存分类代码

11 - Combustible Solids

WGK

WGK 2

闪点(°F)

235.4 °F - closed cup

闪点(°C)

113 °C - closed cup

个人防护装备

Eyeshields, Gloves, type N95 (US)

法规信息

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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)
Mitsuhiko Miyazaki et al.
Physical chemistry chemical physics : PCCP, 11(29), 6098-6106 (2009-07-17)
We measured the infrared (IR) spectra of supersonically cooled N-phenylformamide (formanilide) and N-phenylacetamide (acetanilide) in the amide band and X-H stretch vibration regions by using IR-UV depletion spectroscopy combined with a newly developed mid-IR light source based on difference frequency
Johnson K Agbo et al.
The Journal of chemical physics, 127(6), 064315-064315 (2007-08-21)
A potential energy surface for trans-formanilide (TFA)-H2O is calculated and applied to study energy flow in the complex as well as the kinetics of water shuttling between hydrogen bonding sites on TFA. In addition to the previously identified H2O-TFA(C[Double Bond]O)
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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