3-Iodobenzonitrile

CAS NO.：69113-59-3
Empirical Formula: C7H4IN
Molecular Weight: 229.02
MDL number: MFCD00079762
SAFETY DATA SHEET (SDS)
Update Date: 2025-08-08 17:45:00

What is 3-Iodobenzonitrile?

Chemical properties

white to off-white crystals

The Uses of 3-Iodobenzonitrile

3-Iodobenzonitrile may be used as a starting reagent in the synthesis of tetrachloroisophthalo-[¹⁴C]-nitrile (TCIN). It may also be used in the preparation of:

1-(3-iodophenyl)-3-{2-[4-(trifluoromethyl)-1-piperidinyl]ethyl}-2-imidazolidinone
piperidine derivative
chiral amino acid anilide

The Uses of 3-Iodobenzonitrile

suzuki reaction

Synthesis Reference(s)

The Journal of Organic Chemistry, 55, p. 3552, 1990 DOI: 10.1021/jo00298a032

General Description

3-Iodobenzonitrile is a halogenated aromatic nitrile. Its standard (ρ° = 0.1MPa) molar enthalpy of formation was determined by combustion calorimetry.

Properties of 3-Iodobenzonitrile

Melting point:	40-43 °C(lit.)
Boiling point:	260.1±23.0 °C(Predicted)
Density	1.91±0.1 g/cm3(Predicted)
Flash point:	>230 °F
storage temp.	Keep in dark place,Sealed in dry,Room Temperature
solubility	soluble in Methanol
form	powder to crystal
color	White to Light yellow to Dark green
Sensitive	Light Sensitive
CAS DataBase Reference	69113-59-3(CAS DataBase Reference)

Safety information for 3-Iodobenzonitrile

Signal word	Danger
Pictogram(s)	Skull and Crossbones Acute Toxicity GHS06
GHS Hazard Statements	H301:Acute toxicity,oral H312:Acute toxicity,dermal H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H332:Acute toxicity,inhalation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up.