397229
乙酰苯胺
purified by sublimation, ≥99.9%
别名:
N-苯乙酰胺
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关于此项目
线性分子式:
CH3CONHC6H5
化学文摘社编号:
分子量:
135.16
NACRES:
NA.22
PubChem Substance ID:
eCl@ss:
39031308
UNSPSC Code:
12352100
EC Number:
203-150-7
MDL number:
Beilstein/REAXYS Number:
606468
Assay:
≥99.9%
Form:
solid
vapor density
4.65 (vs air)
Quality Level
vapor pressure
1 mmHg ( 114 °C)
assay
≥99.9%
form
solid
autoignition temp.
1004 °F
purified by
sublimation
bp
304 °C (lit.)
mp
113-115 °C (lit.)
functional group
amide
SMILES string
CC(=O)Nc1ccccc1
InChI
1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)
InChI key
FZERHIULMFGESH-UHFFFAOYSA-N
General description
Pd (OAc) 2 和 Cu (OAc) 2 催化的乙酰苯胺的区域选择性 C-H 功能化/卤代反应可得到 邻位 -卤代乙酰苯胺。用 X 射线衍射研究了乙酰苯胺的晶体结构。研究了乙酰苯胺在 β-环糊精（环七直链淀粉）。已报告 反式 -乙酰苯胺 ·H 2 O 配合物的共振增强多光子电离 (REMPI) 和 ZEKE 光谱。已研究晶体乙酰苯胺离域 NH 激发态的飞秒红外光谱。乙酰苯胺在 Y 沸石和 β 沸石上发生弗里斯重排，生成相应的的氨基苯乙酮。
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signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral
存储类别
11 - Combustible Solids
wgk
WGK 1
flash_point_f
321.8 °F - closed cup
flash_point_c
161 °C - closed cup
ppe
dust mask type N95 (US), Eyeshields, Gloves
法规信息
危险化学品
此项目有
A REMPI and ZEKE Spectroscopic Study of trans-Acetanilide? H2O and Comparison to Ab Initio CASSCF Calculations.
Ullrich S and Muller-Dethlefs K.
The Journal of Physical Chemistry A, 106(40), 9188-9195 (2001)
William Cremlyn RJ.
Chlorosulfonic Acid, 103-103 (2002)
Xiaobing Wan et al.
Journal of the American Chemical Society, 128(23), 7416-7417 (2006-06-08)
Highly regioselective C-H functionalization/halogenation of acetanilides to produce ortho-haloacetanilides was catalyzed by Pd(OAc)2 and Cu(OAc) 2 with CuX2 as the halogen source.
全球贸易项目编号
| 货号 | GTIN |
|---|---|
| 397229-25G | 04061831983500 |
| 397229-5G | 04061831983517 |