for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated Ships Normal 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.
Product Describtion:
Xylydil Blue I is a synthetic colorimetric reagent that has been widely used for the spectrophotometric detection of magnesium.
| Pubchem Sid | 488202907 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488202907 |
| Canonical Smiles | CC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=CC(=C4)S(=O)(=O)[O-])O)C.[Na+] |
| IUPAC Name | sodium;3-[[3-[(2,4-dimethylphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-4-hydroxybenzenesulfonate |
| InChIKey | LKSHJHJGLORTGD-UHFFFAOYSA-M |
| INCHI | 1S/C25H21N3O6S.Na/c1-14-7-9-20(15(2)11-14)26-25(31)19-12-16-5-3-4-6-18(16)23(24(19)30)28-27-21-13-17(35(32,33)34)8-10-22(21)29;/h3-13,29-30H,1-2H3,(H,26,31)(H,32,33,34);/q;+1/p-1 |
| Isomeric SMILES | CC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=CC(=C4)S(=O)(=O)[O-])O)C.[Na+] |
| PubChem CID | 135442960 |
| Molecular Weight | 513.5 |
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 | Naphthalenes |
| Subclass | Naphthalenecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Naphthalenecarboxamides |
| Direct Parent | Naphthalene-2-carboxanilides |
| Alternative Parents | Aromatic anilides Naphthols and derivatives Salicylic acid and derivatives Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds m-Xylenes 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Sulfonyls Organosulfonic acids Secondary carboxylic acid amides Azo compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Naphthalene-2-carboxanilide - Aromatic anilide - 2-naphthol - Benzenesulfonate - Salicylic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - M-xylene - Xylene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Vinylogous acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Azo compound - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthalene-2-carboxanilides. These are naphthalene-2-carboxamides, where the carboxamide group is substituted with an aniline. |
| 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 |
|---|---|---|---|
 F23061140 | Certificate of Analysis | Mar 18, 2026 | X302944 |
| F23061203 | Certificate of Analysis | Mar 18, 2026 | X302944 |
| F23061224 | Certificate of Analysis | Mar 18, 2026 | X302944 |
| F23061241 | Certificate of Analysis | Mar 18, 2026 | X302944 |
| I2413369 | Certificate of Analysis | Aug 19, 2024 | X302944 |
| I2413370 | Certificate of Analysis | Aug 19, 2024 | X302944 |
| A2607533 | Certificate of Analysis | Jun 13, 2024 | X302944 |
| A2607534 | Certificate of Analysis | Jun 13, 2024 | X302944 |
| F23061216 | Certificate of Analysis | Apr 14, 2023 | X302944 |
| F23061217 | Certificate of Analysis | Apr 14, 2023 | X302944 |
| Molecular Weight | 513.500 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 513.097 Da |
| Monoisotopic Mass | 513.097 Da |
| Topological Polar Surface Area | 160.000 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 884.000 |
| 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 | 2 |
