2-Iodobenzaldehyde (o-iodobenzaldehyde) is a 2-halobenzaldehyde derivative. Its crystals belong to the orthorhombic crystal system and P212121 space group.
| Canonical Smiles | C1=CC=C(C(=C1)C=O)I |
|---|---|
| IUPAC Name | 2-iodobenzaldehyde |
| InChIKey | WWKKTHALZAYYAI-UHFFFAOYSA-N |
| INCHI | 1S/C7H5IO/c8-7-4-2-1-3-6(7)5-9/h1-5H |
| Isomeric SMILES | C1=CC=C(C(=C1)C=O)I |
| WGK Germany | 3 |
| Molecular Weight | 232.02 |
| Beilstein | 1927296 |
| Reaxy-Rn | 1927296 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1927296&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoyl derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoyl derivatives |
| Alternative Parents | Benzaldehydes Iodobenzenes Aryl iodides Vinylogous halides Organoiodides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzaldehyde - Benzoyl - Aryl-aldehyde - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Vinylogous halide - Organoiodide - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2102186 | Certificate of Analysis | Apr 02, 2025 | I124157 |
| G2102185 | Certificate of Analysis | Apr 02, 2025 | I124157 |
| C2518296 | Certificate of Analysis | Apr 27, 2021 | I124157 |
| E2323070 | Certificate of Analysis | Apr 27, 2021 | I124157 |
| Solubility | Soluble in Methanol |
|---|---|
| Sensitivity | Air & Light Sensitive |
| Flash Point(°C) | 115 °C |
| Boil Point(°C) | 129 °C/14mmHg |
| Melt Point(°C) | 36-39°C |
| Molecular Weight | 232.020 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 231.939 Da |
| Monoisotopic Mass | 231.939 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 103.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
