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Basic Description
| Synonyms | Benzenesulfinic acid, 4-methyl-, sodium salt (1:1) | BP-12582 | EINECS 212-538-5 | sodium 4-methylbenzene-1-sulfinate | AC8095 | 7CKU5W4TRM | AKOS015960846 | Q27268078 | sodium;4-methylbenzenesulfinate | NSC 4871 | STR01406 | Z104501328 | 4-toluenesulfina |
|---|---|
| Specifications & Purity | Anhydrous, ≥98% |
| Storage Temp | Argon charged |
| Shipped In | Normal |
| Grade | anhydrous |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Toluenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Toluenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Toluenes |
| Alternative Parents | Sulfinic acids and derivatives Organosulfur compounds Organic sodium salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Toluene - Sulfinic acid derivative - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 504760811 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504760811 |
| IUPAC Name | sodium;4-methylbenzenesulfinate |
| INCHI | InChI=1S/C7H8O2S.Na/c1-6-2-4-7(5-3-6)10(8)9;/h2-5H,1H3,(H,8,9);/q;+1/p-1 |
| InChIKey | KFZUDNZQQCWGKF-UHFFFAOYSA-M |
| Smiles | CC1=CC=C(C=C1)S(=O)[O-].[Na+] |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)[O-].[Na+] |
| WGK Germany | 2 |
| RTECS | XT4725000 |
| Alternate CAS | 207801-20-5 |
| PubChem CID | 2723791 |
| Molecular Weight | 178.18 |
| Beilstein | 3574490 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2425334 |
Certificate of Analysis | Jul 09, 2024 | S100400 |
| F2425335 |
Certificate of Analysis | Jul 09, 2024 | S100400 |
| F2425336 |
Certificate of Analysis | Jul 09, 2024 | S100400 |
| F2425349 |
Certificate of Analysis | Jul 09, 2024 | S100400 |
| F2425350 |
Certificate of Analysis | Jul 09, 2024 | S100400 |
| F2425351 |
Certificate of Analysis | Jul 09, 2024 | S100400 |
| E2408368 |
Certificate of Analysis | May 16, 2024 | S100400 |
| E2408370 |
Certificate of Analysis | May 16, 2024 | S100400 |
| C2419379 |
Certificate of Analysis | Apr 01, 2024 | S100400 |
| C2419517 |
Certificate of Analysis | Apr 01, 2024 | S100400 |
| C2419518 |
Certificate of Analysis | Apr 01, 2024 | S100400 |
| A2412582 |
Certificate of Analysis | Jan 20, 2024 | S100400 |
| A2412586 |
Certificate of Analysis | Jan 20, 2024 | S100400 |
| A2412581 |
Certificate of Analysis | Jan 20, 2024 | S100400 |
| A2412584 |
Certificate of Analysis | Jan 20, 2024 | S100400 |
| A2412585 |
Certificate of Analysis | Jan 20, 2024 | S100400 |
| L2308479 |
Certificate of Analysis | Dec 13, 2023 | S100400 |
| L2308487 |
Certificate of Analysis | Dec 13, 2023 | S100400 |
| K2307144 |
Certificate of Analysis | Nov 21, 2023 | S100400 |
| K2307162 |
Certificate of Analysis | Nov 21, 2023 | S100400 |
| I2311702 |
Certificate of Analysis | Sep 19, 2023 | S100400 |
| I2311703 |
Certificate of Analysis | Sep 19, 2023 | S100400 |
| I2311704 |
Certificate of Analysis | Sep 19, 2023 | S100400 |
| I2311705 |
Certificate of Analysis | Sep 19, 2023 | S100400 |
| E23251021 |
Certificate of Analysis | May 18, 2023 | S100400 |
| E23251016 |
Certificate of Analysis | May 18, 2023 | S100400 |
| E2322193 |
Certificate of Analysis | May 08, 2023 | S100400 |
| E2322202 |
Certificate of Analysis | May 08, 2023 | S100400 |
| E2322166 |
Certificate of Analysis | May 08, 2023 | S100400 |
| C23241392 |
Certificate of Analysis | Mar 28, 2023 | S100400 |
| C23241390 |
Certificate of Analysis | Mar 28, 2023 | S100400 |
| C23241391 |
Certificate of Analysis | Mar 28, 2023 | S100400 |
| C23241393 |
Certificate of Analysis | Mar 28, 2023 | S100400 |
| A2208410 |
Certificate of Analysis | Jan 28, 2023 | S100400 |
| A2208432 |
Certificate of Analysis | Jan 28, 2023 | S100400 |
| A2208418 |
Certificate of Analysis | Jan 28, 2023 | S100400 |
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Chemical and Physical Properties
| Solubility | Soluble in water (partly). |
|---|---|
| Sensitivity | Hygroscopic |
| Melt Point(°C) | >300°C |
| Molecular Weight | 178.190 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 178.006 Da |
| Monoisotopic Mass | 178.006 Da |
| Topological Polar Surface Area | 59.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 132.000 |
| 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 |
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