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154393

Sigma-Aldrich

4-乙酰苯腈

greener alternative

99%

别名:

对氰基苯乙酮

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About This Item

线性分子式:
CH3COC6H4CN
CAS号:
1443-80-7
分子量:
145.16
Beilstein:
1932887
EC號碼:
215-885-0
MDL號碼:
MFCD00001825
分類程式碼代碼:
12352100
PubChem物質ID:
24849437
NACRES:
NA.22

品質等級

100

化驗

99%

形狀

solid

環保替代產品評分

old score: 18
new score: 3
Find out more about DOZN™ Scoring

環保替代產品特色

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.)

官能基

ketone
nitrile

環保替代類別

, Re-engineered

SMILES 字串

CC(=O)c1ccc(cc1)C#N

InChI

1S/C9H7NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1H3

InChI 密鑰

NLPHXWGWBKZSJC-UHFFFAOYSA-N

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相关类别

一般說明

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。

應用

4-乙酰苯腈被用于合成咪唑衍生物。

象形圖

Exclamation mark
GHS07

訊號詞

Warning

危險聲明

H302 + H312

危險分類

Acute Tox. 4 Dermal - Acute Tox. 4 Oral

儲存類別代碼

11 - Combustible Solids

水污染物質分類（WGK）

WGK 3

個人防護裝備

dust mask type N95 (US), Eyeshields, Gloves

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
STBJ3339
STBH0319
STBD1351V
STBB6916
S21081

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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
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
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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