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4-Acetylbenzonitrile

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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
  • Aromatic Nitriles
  • Benzonitriles (Building Blocks for Liquid Crystals)
  • Building Blocks for Liquid Crystals
  • Functional Materials
Mol File:
1443-80-7.mol
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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)
Flash point:
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
LogP
1.531 at 25℃
CAS DataBase Reference
1443-80-7(CAS DataBase Reference)
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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

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4-Acetylbenzonitrile Usage And Synthesis

Chemical Properties

light yellow to yellow-beige crystalline mass or crystalline powder and chunks

Uses

4-Acetylbenzonitrile is used in the preparation of antimalarial isonitriles. It is also used for synthetic API such as anesthetic agents and anti-allergic agents.

Uses

4-Acetylbenzonitrile can be used in the preparation of antimalarial isonitriles.

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 Description

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

Flammability and Explosibility

Not classified

Purification Methods

Recrystallise the nitrile from EtOH [Wagner et al. J Am Chem Soc 108 7727 1986]. [Beilstein 10 H 695, 10 III 3030.]

4-Acetylbenzonitrile Preparation Products And Raw materials

Preparation Products

4-(1,2,3-THIADIAZOL-4-YL)BENZOYL CHLORIDE4-(1,2,3-THIADIAZOL-4-YL)BENZOIC ACID4-(1,2,3-THIADIAZOL-4-YL)BENZONITRILE

4-AcetylbenzonitrileSupplier

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