Taxonomic Classification

Taxonomy Tree

Kingdom	Inorganic compounds
Superclass	Mixed metal/non-metal compounds
Class	Alkaline earth metal salts
Subclass	Alkaline earth metal chlorides
Intermediate Tree Nodes	Not available
Direct Parent	Alkaline earth metal chlorides
Alternative Parents	Inorganic chloride salts Inorganic calcium salts
Molecular Framework	Not available
Substituents	Alkaline earth metal chloride - Inorganic calcium salt - Inorganic chloride salt - Inorganic salt
Description	This compound belongs to the class of inorganic compounds known as alkaline earth metal chlorides. These are inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is a lanthanide.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	129.000 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	127.911 Da
Monoisotopic Mass	127.911 Da
Topological Polar Surface Area	1.000 Å²
Heavy Atom Count	4
Formal Charge	0
Complexity	0.000
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	4

Documents & Articles

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Citations of This Product

References

1. Bin Jiang, Xin Li, Bozhi Yang, Shujie Yang, Xinyi Chen, Junhong Chen, Minghao Fang, Zhaohui Huang, Xin Min, Xiaozhi Hu. (2023) Investigation on the Microstructural Diversity of a Three-Dimensional Porous Hydroxyapatite/Wollastonite Skeleton via Biomineralization in Simulated Body Fluids. Applied Sciences-Basel, 13 (20): (11593). [PMID:] [10.3390/app132011593]
2. Qian Liu, Haowen Wu, Jiajiao Chen, Biaohu Guo, Xiufang Zhao, Hui Lin, Wei Li, Xin Zhao, Sihao Lv, Cong Huang. (2022) Adsorption mechanism of trace heavy metals on microplastics and simulating their effect on microalgae in river. ENVIRONMENTAL RESEARCH, [PMID:35780846] [10.1016/j.envres.2022.113777]
3. Tingyu Wang, Han Luo, Shunke Zhang, Ling Huang, Liling Cao, Xuehua Dong, Guohong Zou. (2025) Enhanced Birefringence and Excellent Thermal Stability in Two Tellurium(IV) Vanadates: KTeOVO4 and Ca2TeV2O9. INORGANIC CHEMISTRY, [PMID:39999440] [10.1021/acs.inorgchem.5c00306]
4. Miao Chen, Yan Wang, Yiran Niu, Xiaomin Chen, Hang Su, Liang Xia, Chunbao Liu, Junfen Zhou, Zhen Wang, Bao Li, Diyu Lu. (2026) pH-responsive CaCO3 nanoplatform amplifies SDT via calcium overload-ROS loop for deep tumor therapy. iScience, 29 (3): [PMID:41852721] [10.1016/j.isci.2026.115082]

Solution Calculators

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Reviews

Canonical Smiles	O.[Cl-].[Cl-].[Ca+2]
IUPAC Name	calcium;dichloride;hydrate
InChIKey	YMIFCOGYMQTQBP-UHFFFAOYSA-L
INCHI	1S/Ca.2ClH.H2O/h;2*1H;1H2/q+2;;;/p-2
Isomeric SMILES	O.[Cl-].[Cl-].[Ca+2]
Molecular Weight	110.99
Reaxy-Rn	14997810
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14997810&ln=

Calcium chloride hydrate - PrimorTrace™, ≥99.999% metals basis , CAS No.22691-02-7

Specifications