3-Iodobenzonitrile

ALDRICH/529036 - 98%

CAS Number: 69113-59-3
Empirical Formula (Hill Notation): C₇H₄IN
Molecular Weight: 229.02
MDL Number: MFCD00079762
Linear Formula: IC₆H₄CN
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-529036-1G	1 g	$26.00 1/EA		Add To Favorites
45-529036-10G	10 g	$157.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	98%
InChI	1S/C7H4IN/c8-7-3-1-2-6(4-7)5-9/h1-4H
InChI key	BGARPMGQRREXLN-UHFFFAOYSA-N
mp	40-43 °C (lit.)
Quality Level	100
SMILES string	Ic1cccc(c1)C#N

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
General description:	3-Iodobenzonitrile is a halogenated aromatic nitrile. Its standard (ρ° = 0.1MPa) molar enthalpy of formation was determined by combustion calorimetry.
Packaging:	1, 10 g in glass bottle

RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	230.0 °F - closed cup
Flash Point(C)	110 °C - closed cup

Purity	98%
mp	40-43 °C (lit.)
UNSPSC	12352100

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