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4-Acetylbenzonitrile

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Products Intro: Product Name:4-Cyanoacetophenone
CAS:1443-80-7
Purity:98% (Min,GC) Package:1G;1KG;100KG
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CAS:1443-80-7
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Products Intro: Product Name:4-Acetylbenzonitrile
CAS:1443-80-7
Purity:99% Package:25kg Remarks:Light yellow to yellow-beige Crystalline Mass or Crystalline Powder and Chunks
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CAS:1443-80-7
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  • 2021-12-22
  • CAS:1443-80-7
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4-Acetylbenzonitrile Basic information
Product Name:4-Acetylbenzonitrile
Synonyms:4'-Cyanoacetophenonele;4-Cyanophenyl methyl ketone;4-Cyanophenylmethylketone;Benzonitrile, p-acetyl-;Benzonitrile,4-acetyl-;Benzonitrile,p-acetyl-;Methylp-cyanophenylketone;Paracyanoacetophenone
CAS:1443-80-7
MF:C9H7NO
MW:145.16
EINECS:215-885-0
Product Categories:Building Blocks;C8 to C9;Chemical Synthesis;Cyanides/Nitriles;Nitrogen Compounds;Organic Building Blocks;Benzonitriles (Building Blocks for Liquid Crystals);Building Blocks for Liquid Crystals;Functional Materials;Aromatic Nitriles
Mol File:1443-80-7.mol
4-Acetylbenzonitrile Structure
4-Acetylbenzonitrile Chemical Properties
Melting point 56-59 °C(lit.)
Boiling point 95-96°C 14mm
density 1.1555 (rough estimate)
vapor pressure 0.856Pa at 25℃
refractive index 1.4500 (estimate)
Fp 95-96°C/14mm
storage temp. Keep in dark place,Sealed in dry,Room Temperature
solubility Chloroform
form Crystalline Mass or Crystalline Powder and Chunks
color Light yellow to yellow-beige
Water Solubility Soluble in chloroform. Insoluble in water.
BRN 1932887
InChIInChI=1S/C9H7NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1H3
InChIKeyNLPHXWGWBKZSJC-UHFFFAOYSA-N
SMILESC(#N)C1=CC=C(C(C)=O)C=C1
LogP1.531 at 25℃
CAS DataBase Reference1443-80-7(CAS DataBase Reference)
Safety Information
Hazard Codes Xn,Xi
Risk Statements 22-36/37/38-20/21/22
Safety Statements 36-36/37/39-26-22
RIDADR 3276
WGK Germany 3
Hazard Note Harmful/Irritant
HazardClass 6.1
PackingGroup III
HS Code 29269090
MSDS Information
ProviderLanguage
SigmaAldrich English
ACROS English
ALFA English
4-Acetylbenzonitrile Usage And Synthesis
Chemical Propertieslight yellow to yellow-beige crystalline mass or crystalline powder and chunks
Uses4-Acetylbenzonitrile can be used in the preparation of antimalarial isonitriles.
Uses4-Acetylbenzonitrile is used in the preparation of antimalarial isonitriles. It is also used for synthetic API such as anesthetic agents and anti-allergic agents.
Synthesis Reference(s)The Journal of Organic Chemistry, 44, p. 1613, 1979 DOI: 10.1021/jo01324a006
Tetrahedron Letters, 28, p. 1345, 1987 DOI: 10.1016/S0040-4039(00)95366-8
General DescriptionThe relaxation-assisted two-dimensional infrared (RA 2DIR) spectroscopy of 4-acetylbenzonitrile was analyzed.
Flammability and ExplosibilityNot classified
Purification MethodsRecrystallise the nitrile from EtOH [Wagner et al. J Am Chem Soc 108 7727 1986]. [Beilstein 10 H 695, 10 III 3030.]
Tag:4-Acetylbenzonitrile(1443-80-7) Related Product Information
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