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154393

Sigma-Aldrich

4-Acetylbenzonitrile

greener alternative

99%

Sinonimo/i:

4′-Cyanoacetophenone

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About This Item

Formula condensata:
CH3COC6H4CN
Numero CAS:
1443-80-7
Peso molecolare:
145.16
Beilstein:
1932887
Numero CE:
215-885-0
Numero MDL:
MFCD00001825
Codice UNSPSC:
12352100
ID PubChem:
24849437
NACRES:
NA.22

Livello qualitativo

100

Saggio

99%

Forma fisica

solid

Punteggio alternativa più verde

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

Caratteristiche più verdi

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

Punto di fusione

56-59 °C (lit.)

Gruppo funzionale

ketone
nitrile

Categoria alternativa più verde

, Re-engineered

Stringa SMILE

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

InChI

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

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Descrizione generale

The relaxation-assisted two-dimensional infrared (RA 2DIR) spectroscopy of 4-acetylbenzonitrile was analyzed.
We are committed to bringing you Greener Alternative Products, which adhere to one of the four categories of Greener Alternatives . This product belongs to category of Re-engineered products, showing key improvements in Green Chemistry Principles “Atom economy”, “Design for Energy Efficiency”, “Use of Renewable Feedstock” and “Inherently Safer Chemistry for Accident Prevention”. Click here to view its DOZN scorecard.

Applicazioni

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

Pittogrammi

Exclamation mark
GHS07

Avvertenze

Warning

Indicazioni di pericolo

H302 + H312

Classi di pericolo

Acute Tox. 4 Dermal - Acute Tox. 4 Oral

Codice della classe di stoccaggio

11 - Combustible Solids

Classe di pericolosità dell'acqua (WGK)

WGK 3

Dispositivi di protezione individuale

dust mask type N95 (US), Eyeshields, Gloves

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Certificati d'analisi (COA)

Lot/Batch Number
STBJ3339
STBH0319
STBD1351V
STBB6916
04311AW

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Sigma-Aldrich

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Sigma-Aldrich

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Benzo[a]fluorenone BCR®, certified reference material

BCR342

Benzo[a]fluorenone

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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