133329
甲酰苯胺
99%
别名:
N-苯基甲酰胺
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关于此项目
线性分子式:
C6H5NHCHO
化学文摘社编号:
分子量:
121.14
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
203-136-0
Beilstein/REAXYS Number:
906934
MDL number:
Assay:
99%
Form:
powder
InChI key
DYDNPESBYVVLBO-UHFFFAOYSA-N
InChI
1S/C7H7NO/c9-6-8-7-4-2-1-3-5-7/h1-6H,(H,8,9)
SMILES string
O=CNc1ccccc1
assay
99%
form
powder
bp
166 °C/14 mmHg (lit.)
Quality Level
solubility
water: soluble 25.4 g/L at 20 °C, water: soluble 28.6 g/L at 25 °C
density
1.144 g/mL at 25 °C (lit.)
Application
甲酰苯胺被用于研究顺式和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。
存储类别
11 - Combustible Solids
wgk
WGK 2
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Gloves, type N95 (US)
法规信息
新产品
此项目有
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)
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
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.
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
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