579157
4-Iodobenzonitrile
97%
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About This Item
Linear Formula:
IC6H4CN
CAS Number:
Molecular Weight:
229.02
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
Form:
solid
InChI
1S/C7H4IN/c8-7-3-1-6(5-9)2-4-7/h1-4H
SMILES string
Ic1ccc(cc1)C#N
InChI key
XOKDXPVXJWTSRM-UHFFFAOYSA-N
assay
97%
form
solid
mp
124-128 °C (lit.)
functional group
iodo, nitrile
Quality Level
Related Categories
Application
4-Iodobenzonitrile may be used in the synthesis of the following:
- ethyl-4′-cyano-4-nitro[1,1′-biphenyl]-2-carboxylate via a multi-step reaction process
- 2-(4-cyanophenyl)tellurophene obtained via Stille coupling with tellurophene
- 2,5-bis(4-cyanophenyl)tellurophene obtained via Stille coupling with 2,5-bis(trimethylstannyl)tellurophene
- ethyl-4′-cyano-6-{[(E)-phenylmethylidene]amino}[1,1′-biphenyl]-3-carboxylate via a multi-step reaction process
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
Regulatory Information
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"Synthesis of Nitro-Substituted Polyfunctional Biphenyls by Negishi Cross-Coupling of o-Nitroarylzinc Reagents"
Sapountzis I, et al.
Advanced Synthesis & Catalysis, 346(07), 709-712 (2004)
"Preparation and reactions of functionalized arylmagnesium reagents"
Jensen EA, et al.
Synthesis, 2002(04), 0565-0569 (2002)
"Synthesis and stille cross-coupling reactions of 2-(tributylstannyl)-and 2, 5-bis (trimethylstannyl) tellurophene"
Sweat.PD and Stephens.EC
Synthesis, 2009(19), 3214-3218 (2009)
Nico Giordano et al.
Molecules (Basel, Switzerland), 24(10) (2019-05-30)
The crystal structure of 4-iodobenzonitrile, which is monoclinic (space group I2/a) under ambient conditions, contains chains of molecules linked through C≡N···I halogen-bonds. The chains interact through CH···I, CH···N and π-stacking contacts. The crystal structure remains in the same phase up
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