3-Iodobenzonitrile Chemical Properties

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

InChI

InChI=1S/C7H4IN/c8-7-3-1-2-6(4-7)5-9/h1-4H

InChIKey

BGARPMGQRREXLN-UHFFFAOYSA-N

SMILES

C(#N)C1=CC=CC(I)=C1

CAS DataBase Reference

69113-59-3(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn,Xi

Risk Statements 

36/37/38-20/21/22

Safety Statements 

36/37/39-26-37/39-24/25

RIDADR 

3439

WGK Germany 

3

Hazard Note 

Irritant

HazardClass 

6.1

PackingGroup 

III

HS Code 

29269090

MSDS

• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

3-Iodobenzonitrile Usage And Synthesis

Chemical Properties

white to off-white crystals

Uses

suzuki reaction

Uses

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

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.

3-Iodobenzonitrile(69113-59-3)Related Product Information

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