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 Application:
Recommended for Offset Inks；
Suggested for Water Based Inks, PVC.
| Canonical Smiles | CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N=NC2=C(C=CC3=CC=CC=C32)O.CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N=NC2=C(C=CC3=CC=CC=C32)O.[Ba+2] |
|---|---|
| IUPAC Name | barium(2+);5-chloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylbenzenesulfonate |
| InChIKey | POJOORKDYOPQLS-UHFFFAOYSA-L |
| INCHI | 1S/2C17H13ClN2O4S.Ba/c2*1-10-8-14(16(9-13(10)18)25(22,23)24)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2*2-9,21H,1H3,(H,22,23,24);/q;;+2/p-2 |
| Isomeric SMILES | CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N=NC2=C(C=CC3=CC=CC=C32)O.CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N=NC2=C(C=CC3=CC=CC=C32)O.[Ba+2] |
| Molecular Weight | 888.93 |
| Reaxy-Rn | 8178033 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8178033&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 | Naphthalenes |
| Subclass | Naphthols and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthols and derivatives |
| Alternative Parents | p-Methylbenzenesulfonates 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Toluenes 1-hydroxy-2-unsubstituted benzenoids Chlorobenzenes Aryl chlorides Sulfonyls Organosulfonic acids Azo compounds Organic metal halides Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Organic oxides Organochlorides |
| Molecular Framework | Not available |
| Substituents | 2-naphthol - P-methylbenzenesulfonate - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Organic metal halide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organopnictogen compound - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position. |
| External Descriptors | Not available |
| Solubility | Slightly soluble in water; Slightly soluble in Ethanol; Insoluble in Benzene,Acetone |
|---|---|
| Sensitivity | Moisture sensitive |
| Molecular Weight | 888.900 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 4 |
| Exact Mass | 887.947 Da |
| Monoisotopic Mass | 887.947 Da |
| Topological Polar Surface Area | 221.000 Ų |
| Heavy Atom Count | 51 |
| Formal Charge | 0 |
| Complexity | 581.000 |
| 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 | 3 |
