154393
4-Acetylbenzonitrile
99%
Synonym(s):
4′-Cyanoacetophenone
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About This Item
Linear Formula:
CH3COC6H4CN
CAS Number:
Molecular Weight:
145.16
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
215-885-0
Beilstein/REAXYS Number:
1932887
MDL number:
Assay:
99%
Form:
solid
Quality Segment
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
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
General description
The relaxation-assisted two-dimensional infrared (RA 2DIR) spectroscopy of 4-acetylbenzonitrile was analyzed.
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Application
4-Acetylbenzonitrile was used in the synthesis of imidazole derivatives.
signalword
Warning
hcodes
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
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