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529036

3-Iodobenzonitrile

Name: 3-Iodobenzonitrile
Brand: ALDRICH

98%

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About This Item

Linear Formula:

IC₆H₄CN

CAS Number:

69113-59-3

Molecular Weight:

229.02

NACRES:

NA.22

PubChem Substance ID:

24877638

UNSPSC Code:

12352100

MDL number:

MFCD00079762

Assay:

98%

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Properties

Quality Segment

100

assay

98%

mp

40-43 °C (lit.)

functional group

iodo, nitrile

SMILES string

Ic1cccc(c1)C#N

InChI

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

InChI key

BGARPMGQRREXLN-UHFFFAOYSA-N

Description

General description

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

Application

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

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

230.0 °F - closed cup

flash_point_c

110 °C - closed cup

ppe

Eyeshields, Gloves, type N95 (US)

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