4-Iodobenzonitrile

Name	4-Iodobenzonitrile
Synonyms	NSC 87894 On ioxynil p-Cyanoiodobenzene 4-lodobenzonitrile 4-iodo-benzonitril p-Iodobenzonitrile 4-Iodobenzonitrile 4-Iodo Benzonitrile Benzonitrile, 4-iodo- 1-Cyano-4-iodobenzene Benzonitrile of iodine On iodobenzene nitrile Benzonitrile, p-iodo- (8CI)
CAS	3058-39-7
InChI	InChI=1/C7H4IN/c8-7-3-1-6(5-9)2-4-7/h1-4H

Molecular Formula	C7H4IN
Molar Mass	229.02
Density	1.9241 (estimate)
Melting Point	124-128°C(lit.)
Boling Point	271.6±23.0 °C(Predicted)
Flash Point	118°C
Water Solubility	Insoluble in water.
Vapor Presure	0.00639mmHg at 25°C
Appearance	Bright yellow crystalline powder
Color	Light yellow-brown
Storage Condition	Keep in dark place,Sealed in dry,Room Temperature
Sensitive	Light Sensitive
Refractive Index	1.66
MDL	MFCD00051310

Risk Codes	R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
Safety Description	S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
UN IDs	3439
WGK Germany	3
TSCA	Yes
HS Code	29269090
Hazard Note	Irritant
Hazard Class	6.1
Packing Group	III

NIST chemical information	Information provided by: webbook.nist.gov (external link)
EPA chemical information	Information provided by: ofmpub.epa.gov (external link)
introduction	4-iodocyano is a benzonitrile compound. As important organic synthesis raw materials and intermediates, formonitrile compounds are easily converted into other useful functional compounds, such as aldehydes, ketones, carboxylic acids, amines, amides and heterocyclic compounds.
preparation	add 0.2mmol p-iodophenylacetic acid, 0.33mmol cuprous bromide, 1.0mL acetonitrile and DMAc mixed solvent (volume ratio is [2:1]). Heating to 120 ℃ under oxygen, stirring continuously for 34h, stopping the reaction, cooling to room temperature, adding saturated ammonium chloride solution for washing, extracting with ethyl acetate, drying, distillation under reduced pressure to remove solvent, and the crude product was separated by column chromatography to obtain 4-iodine cyanobenzene with a yield of 61%.

Last Update：2024-04-09 02:00:08

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