Determine the necessary mass, volume, or concentration for preparing a solution.
0.1% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N=NC2=C(C=C3C=C(C=CC3=C2O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
|---|---|
| IUPAC Name | disodium;3-[(2,4-dinitrophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate |
| InChIKey | XBLIFEQTVVSTIM-UHFFFAOYSA-L |
| INCHI | 1S/C16H10N4O11S2.2Na/c21-16-11-3-2-10(32(26,27)28)5-8(11)6-14(33(29,30)31)15(16)18-17-12-4-1-9(19(22)23)7-13(12)20(24)25;;/h1-7,21H,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2 |
| Isomeric SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N=NC2=C(C=C3C=C(C=CC3=C2O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| Molecular Weight | 542.36 |
| Reaxy-Rn | 3888558 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3888558&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 | Naphthalene sulfonic acids and derivatives |
| Intermediate Tree Nodes | Naphthalene sulfonates |
| Direct Parent | 2-naphthalene sulfonates |
| Alternative Parents | 2-naphthalene sulfonic acids and derivatives Naphthols and derivatives 1-sulfo,2-unsubstituted aromatic compounds Nitrobenzenes Nitroaromatic compounds 1-hydroxy-4-unsubstituted benzenoids Sulfonyls Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic cations |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | 2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 1-naphthol - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Nitrobenzene - Nitroaromatic compound - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Organic nitro compound - C-nitro compound - Azo compound - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. |
| 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 |
|---|---|---|---|
| Certificate of Analysis | Jul 14, 2023 | N299260 |
| Molecular Weight | 542.400 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 2 |
| Exact Mass | 541.943 Da |
| Monoisotopic Mass | 541.943 Da |
| Topological Polar Surface Area | 268.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 969.000 |
| 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 |
| 1. Huayun Chen, Zhiheng You, Yuhui Hong, Xiao Wang, Mingming Zhao, Yushi Luan, Yibin Ying, Yixian Wang. (2023) Gas-responsive two-dimensional metal–organic framework composites for trace visualization of volatile organic compounds. BIOSENSORS & BIOELECTRONICS, [PMID:37984318] [10.1016/j.bios.2023.115826] |
| 2. Yixuan Pan, Maohua Yang, Mei Zhang, Mingyan Jia. (2019) Rapid discrimination of commercial American ginseng and Asian ginseng according to diols composition using a colorimetric sensor array. SENSORS AND ACTUATORS B-CHEMICAL, [PMID:] [10.1016/j.snb.2019.05.029] |
| 3. Maohua Yang, Liangli Li, Chunni Zhao, Mei Zhang, Mingyan Jia. (2024) A colorimetric sensor array for the rapid identification of benzylisoquinoline alkaloids and Coptidis Rhizoma based on urease inhibition. FOOD CHEMISTRY, [PMID:39755044] [10.1016/j.foodchem.2024.142610] |
| 4. Zhenwu Liang, Yuelian Qin, Xinyu Zhong, Xiaolong Ma, Lijun Deng, Ziwei Zou, Linlin Feng, Ziping Pan, Shihan Pan, Mei Li, Zhiheng Su, Jinxia Wu. (2025) A smartphone-integrated paper-based colorimetric sensor array: Real-time detection and classification of flavonoids. TALANTA, [PMID:40164026] [10.1016/j.talanta.2025.128030] |
| 5. Xin Zhang, Dapeng Li, Ke Jiang, Chao Zeng, Mi He, Xiancheng Ma, Chongshan Yang, Ling Li, Tao Wen. (2026) MOF-enhanced colorimetric sensor array for early detection of citrus infestation by Bactrocera dorsalis. POSTHARVEST BIOLOGY AND TECHNOLOGY, [PMID:] [10.1016/j.postharvbio.2026.114242] |