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ACS, ≥98% ACS for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,Room temperature 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 53 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504753280 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504753280 |
| Canonical Smiles | O.O.[O-]S(=O)(=O)[O-].[Ca+2] |
| IUPAC Name | calcium;sulfate;dihydrate |
| InChIKey | PASHVRUKOFIRIK-UHFFFAOYSA-L |
| INCHI | 1S/Ca.H2O4S.2H2O/c;1-5(2,3)4;;/h;(H2,1,2,3,4);2*1H2/q+2;;;/p-2 |
| Isomeric SMILES | O.O.[O-]S(=O)(=O)[O-].[Ca+2] |
| WGK Germany | 1 |
| RTECS | EW4150000 |
| Molecular Weight | 172.17 |
| Reaxy-Rn | 13248257 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13248257&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 | Inorganic compounds |
|---|---|
| Superclass | Mixed metal/non-metal compounds |
| Class | Alkaline earth metal oxoanionic compounds |
| Subclass | Alkaline earth metal sulfates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alkaline earth metal sulfates |
| Alternative Parents | Inorganic oxides Inorganic calcium salts |
| Molecular Framework | Not available |
| Substituents | Alkaline earth metal sulfate - Inorganic calcium salt - Inorganic oxide - Inorganic salt |
| Description | This compound belongs to the class of inorganic compounds known as alkaline earth metal sulfates. These are inorganic compounds in which the largest oxoanion is sulfate, and in which the heaviest atom not in an oxoanion is an alkaline earth metal. |
| External Descriptors | hydrate - calcium salt |
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 | Mar 11, 2026 | C101881 | |
| Certificate of Analysis | Mar 11, 2026 | C101881 | |
| Certificate of Analysis | Aug 12, 2025 | C101881 | |
| Certificate of Analysis | Aug 12, 2025 | C101881 | |
| Certificate of Analysis | Jul 10, 2023 | C101881 | |
| Certificate of Analysis | Dec 14, 2022 | C101881 | |
| Certificate of Analysis | Dec 14, 2022 | C101881 |
| Solubility | Soluble in water (slightly), and glycerol (very slowly). Insoluble in dilute hydrochloric acid, and practically insoluble in most organic solvents. |
|---|---|
| Sensitivity | Hygroscopic. |
| Molecular Weight | 172.170 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 0 |
| Exact Mass | 171.935 Da |
| Monoisotopic Mass | 171.935 Da |
| Topological Polar Surface Area | 90.600 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 62.200 |
| 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 | 4 |
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