| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 03:23:40 UTC |
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| Update Date | 2016-11-09 01:14:12 UTC |
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| Accession Number | CHEM010525 |
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| Identification |
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| Common Name | 1,5-Naphthalenedisulfonic acid, disodium salt |
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| Class | Small Molecule |
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| Description | |
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| Contaminant Sources | |
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| 1,5-Naphthalenedisulfonic acid | ChEBI | | Armstrong's acid | ChEBI | | 1,5-Naphthalenedisulfonate | Generator | | 1,5-Naphthalenedisulphonate | Generator | | 1,5-Naphthalenedisulphonic acid | Generator | | Naphthalene-1,5-disulfonate | Generator | | Naphthalene-1,5-disulphonate | Generator | | Naphthalene-1,5-disulphonic acid | Generator |
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| Chemical Formula | C10H8O6S2 |
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| Average Molecular Mass | 288.297 g/mol |
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| Monoisotopic Mass | 287.976 g/mol |
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| CAS Registry Number | 1655-29-4 |
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| IUPAC Name | naphthalene-1,5-disulfonic acid |
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| Traditional Name | 1,5-naphthalenedisulfonic acid |
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| SMILES | OS(=O)(=O)C1=CC=CC2=C1C=CC=C2S(O)(=O)=O |
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| InChI Identifier | InChI=1S/C10H8O6S2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16) |
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| InChI Key | XTEGVFVZDVNBPF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as 1-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Naphthalenes |
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| Sub Class | Naphthalene sulfonic acids and derivatives |
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| Direct Parent | 1-naphthalene sulfonates |
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| Alternative Parents | |
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| Substituents | - 1-naphthalene sulfonate
- 1-naphthalene sulfonic acid or derivatives
- 1-sulfo,2-unsubstituted aromatic compound
- Arylsulfonic acid or derivatives
- Sulfonyl
- Organosulfonic acid
- Organosulfonic acid or derivatives
- Organic sulfonic acid or derivatives
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organosulfur compound
- Aromatic homopolycyclic compound
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| Molecular Framework | Aromatic homopolycyclic compounds |
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| External Descriptors | |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-0090000000-bf2fc86cf9b91270543e | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4r-0090000000-28913d3290eaba7ec5ee | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-004i-0910000000-a4bec4a9d679311557f7 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-1090000000-461dd3a756fbb75b990a | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0019-3090000000-5b310e3164877133a568 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-001i-9000000000-b0373e5ee9bca930c41c | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | 30890 |
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| PubChem Compound ID | 6666 |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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