≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | CN(CCCl)C1=CC=C(C=C1)C=O |
|---|---|
| IUPAC Name | 4-[2-chloroethyl(methyl)amino]benzaldehyde |
| InChIKey | IYFULQJDHJGQKQ-UHFFFAOYSA-N |
| INCHI | 1S/C10H12ClNO/c1-12(7-6-11)10-4-2-9(8-13)3-5-10/h2-5,8H,6-7H2,1H3 |
| Isomeric SMILES | CN(CCCl)C1=CC=C(C=C1)C=O |
| Alternate CAS | 94-31-5 |
| PubChem CID | 66745 |
| MeSH Entry Terms | 4-((2-chloroethyl)methylamino)benzaldehyde;CEMAB |
| Molecular Weight | 197.66 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Dialkylarylamines Benzaldehydes Aniline and substituted anilines Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzaldehyde - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aryl-aldehyde - Tertiary amine - Amine - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl chloride - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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 |
|---|---|---|---|
 A2620262 | Certificate of Analysis | Nov 25, 2025 | A694151 |
| A2620263 | Certificate of Analysis | Nov 25, 2025 | A694151 |
| A2620264 | Certificate of Analysis | Nov 25, 2025 | A694151 |
| A2620266 | Certificate of Analysis | Nov 25, 2025 | A694151 |
| Molecular Weight | 197.660 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 197.061 Da |
| Monoisotopic Mass | 197.061 Da |
| Topological Polar Surface Area | 20.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 155.000 |
| 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 |
