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:
产品名称
甲酰苯胺, 99%
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.)
mp
46-48 °C (lit.)
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.)
Quality Level
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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
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)
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)
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)
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.
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