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Merck
CN

154393

4-Acetylbenzonitrile

greener alternative

99%

Synonym(s):

4′-Cyanoacetophenone

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About This Item

Linear Formula:
CH3COC6H4CN
CAS Number:
1443-80-7
Molecular Weight:
145.16
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24849437
EC Number:
215-885-0
Beilstein/REAXYS Number:
1932887
MDL number:
MFCD00001825
Assay:
99%
Form:
solid

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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

Quality Level

100

functional group

ketone, nitrile

greener alternative category

, Re-engineered

Related Categories

General description

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.

Application

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

pictograms

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GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 3

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (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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