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Merck
모든 사진(5)

주요 문서

154393

Sigma-Aldrich

4-Acetylbenzonitrile

greener alternative

99%

동의어(들):

4′-Cyanoacetophenone

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About This Item

Linear Formula:
CH3COC6H4CN
CAS Number:
Molecular Weight:
145.16
Beilstein:
1932887
EC Number:
MDL number:
UNSPSC 코드:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

분석

99%

양식

solid

환경친화적 대안 제품 점수

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

환경친화적 대안 제품 특성

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.)

작용기

ketone
nitrile

환경친화적 대안 카테고리

SMILES string

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 key

NLPHXWGWBKZSJC-UHFFFAOYSA-N

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일반 설명

The relaxation-assisted two-dimensional infrared (RA 2DIR) spectroscopy of 4-acetylbenzonitrile was analyzed.
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애플리케이션

4-Acetylbenzonitrile was used in the synthesis of imidazole derivatives.

픽토그램

Exclamation mark

신호어

Warning

유해 및 위험 성명서

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Oral

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

개인 보호 장비

dust mask type N95 (US), Eyeshields, Gloves


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시험 성적서(COA)

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문서 라이브러리 방문

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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