4-Acetylbenzonitrile

4-Acetylbenzonitrile Basic information

Product Name:	4-Acetylbenzonitrile
Synonyms:	Benzonitrile,p-acetyl-;Methylp-cyanophenylketone;Paracyanoacetophenone;4'-CYANOACETOPHENONE;4-ACETYLBENZONITRILE;AKOS 90467;P-ACETYLBENZONITRILE;P-CYANOACETOPHENONE
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 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
LogP	1.531 at 25℃
CAS DataBase Reference	1443-80-7(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

Provider	Language
ACROS	English
SigmaAldrich	English
ALFA	English

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	Notclassified
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

Raw materials

4-Ethylbenzonitrile

Preparation Products

4-(1,2,3-THIADIAZOL-4-YL)BENZOYL CHLORIDE-->4-(1,2,3-THIADIAZOL-4-YL)BENZOIC ACID-->4-(1,2,3-THIADIAZOL-4-YL)BENZONITRILE-->N-methylacridine-->1-[4-(aminomethyl)phenyl]ethan-1-ol-->Benzonitrile, 4-(1-aminoethyl)--->(S)-1-(4-CYANOPHENYL)ETHANAMINE-->3-(4-CYANO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER-->Ravuconazole-->(4-ethylphenyl)methanamine hydrochloride-->4-CYANOPHENYLGLYOXAL HYDRATE-->4-Cyanophenylglyoxal hydrate

3-(4-CYANO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER 2-BROMO-4'-CYANOBENZOPHENONE ETHYL-4-(4-CYANOPHENYL)-4-OXOBUTYRATE 4'-CYANO-2,2,2-TRIFLUOROACETOPHENONE ETHYL-5-(4-CYANOPHENYL)-5-OXOVALERATE 9-OXO-9H-THIOXANTHENE-3-CARBONITRILE-10,10-DIOXIDE 1,4-DIAMINO-2,3-DICYANO-9,10-ANTHRAQUINONE 4-(4-CYANOPHENYL)-4-OXOBUTYRONITRILE 4-(3-(5-[3,5-DI(TRIFLUOROMETHYL)PHENYL]-2-FURYL)ACRYLOYL)BENZONITRILE 5-(4-CYANOPHENYL)-5-OXOVALERONITRILE 6-CYANO-1-TETRALONE 4-CYANO-2'-IODOBENZOPHENONE CIS-4-(4-CYANOBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID 4-CYANO-2'-METHOXYBENZOPHENONE 4-(4-CYANOBENZOYL)THIOPHENOL 3-(4-Cyanobenzoyl)-5,7-dimethoxycoumarin 6-(4-CYANOPHENYL)-6-OXOHEXANENITRILE 3-BROMO-4'-CYANOBENZOPHENONE

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