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
This picture is provided solely for illustration purposes, it may have been created or edited with AI. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 529036-10G
| assay | 98% |
| functional group | iodo |
| nitrile | |
| InChI | 1S/C7H4IN/c8-7-3-1-2-6(4- |
| InChI key | BGARPMGQRREXLN-UHFFFAOYSA |
| 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-[ • 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 |