154393
4-乙酰苯腈
99%
别名:
对氰基苯乙酮
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线性分子式:
CH3COC6H4CN
化学文摘社编号:
分子量:
145.16
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
215-885-0
Beilstein/REAXYS Number:
1932887
MDL number:
产品名称
4-乙酰苯腈, 99%
InChI key
NLPHXWGWBKZSJC-UHFFFAOYSA-N
InChI
1S/C9H7NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1H3
SMILES string
CC(=O)c1ccc(cc1)C#N
assay
99%
form
solid
greener alternative product score
old score: 18
new score: 3
Find out more about DOZN™ Scoring
greener alternative product characteristics
Atom Economy
Design for Energy Efficiency
Use of Renewable Feedstocks
Inherently Safer Chemistry for Accident Prevention
Learn more about the Principles of Green Chemistry.
sustainability
Greener Alternative Product
mp
56-59 °C (lit.)
functional group
ketone
nitrile
greener alternative category
Quality Level
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Application
4-乙酰苯腈被用于合成咪唑衍生物。
General description
已经分析了4-乙酰苯腈的松弛辅助二维红外（RA 2DIR）光谱。
我们竭诚为您带来满足绿色替代产品四大类别要求的替代产品。本品属于重新设计产品类别，在“原子经济性”、“节能设计”、“使用可再生原料”和“本质更安全的化学成分，以预防事故”绿色化学原则方面取得了重大进步。 点击此处查看其DOZN记分卡。
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Oral
存储类别
11 - Combustible Solids
wgk
WGK 3
ppe
dust mask type N95 (US), Eyeshields, Gloves
法规信息
新产品
此项目有
Sham M Sondhi et al.
Medicinal chemistry (Shariqah (United Arab Emirates)), 4(2), 146-154 (2008-03-14)
A series of thiophene derivatives 1a-d & 2a-c were synthesized by condensation of 5-nitro-2-thiophene carboxaldehyde with mono and diamines respectively. Various imidazole derivatives 3a-c were obtained by condensing 4-(2-ethylamino)-1H-imidazole with 4-acetylpyridine, 2-acetylpyridine and 4-acetylbenzonitrile respectively. Pyridine derivatives 4a-e were synthesized
Dmitry V Kurochkin et al.
Proceedings of the National Academy of Sciences of the United States of America, 104(36), 14209-14214 (2007-06-15)
A method of two-dimensional infrared (2D IR) spectroscopy called relaxation-assisted 2D IR (RA 2DIR) is proposed that utilizes vibrational energy relaxation transport in molecules to enhance cross-peak amplitudes. This method substantially increases the range of distances accessible by 2D IR
Koji Uwai et al.
Bioorganic & medicinal chemistry, 16(3), 1084-1089 (2007-11-17)
Stereoselective reductive metabolism of various p-substituted acetophenone derivatives was studied using isolated rat liver 3alpha-hydroxysteroid dehydrogenase (3alpha-HSD). Kinetic experiments were performed and analyzed by measuring the products by HPLC using a chiral column. The results demonstrated that the presence of
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