≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=C(C=C(C=C1Cl)I)C(=O)O |
|---|---|
| IUPAC Name | 3-chloro-5-iodobenzoic acid |
| InChIKey | LFLGQMGSWYRAMO-UHFFFAOYSA-N |
| INCHI | 1S/C7H4ClIO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11) |
| Isomeric SMILES | C1=C(C=C(C=C1Cl)I)C(=O)O |
| Molecular Weight | 282.46 |
| Reaxy-Rn | 3240836 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3240836&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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 | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Halobenzoic acids and derivatives |
| Direct Parent | Halobenzoic acids |
| Alternative Parents | 3-halobenzoic acids Benzoic acids Benzoyl derivatives Iodobenzenes Chlorobenzenes Aryl iodides Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organoiodides Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 3-halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoyl - Iodobenzene - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Aryl iodide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organic oxygen compound - Organoiodide - Organooxygen compound - Organic oxide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 282.460 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 281.894 Da |
| Monoisotopic Mass | 281.894 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 163.000 |
| 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 |
J2510313