Basic information
- CAS
7774-34-7- Standard SMILES
O.O.O.O.O.O.[Ca+2].[Cl-].[Cl-]- InChIKey
QHFQAJHNDKBRBO-UHFFFAOYSA-L- Molecular formula
- CaCl2H12O6
- Average molar mass
- 219.07 g/mol
- Monoisotopic mass
- 217.9636843
Overview
See also: Calcium Chloride Hexahydrate (preferred).
Names & identifiers
- Preferred name
- Calcium chloride 6-hydrate
- IUPAC
- calcium;dichloride;hexahydrate
- English name
- Calcium chloride hexahydrate
- Molecular formula
- CaCl2H12O6
- Molecular weight
- 219.08
Names & synonyms
UNII-1D898P42YWCalcium chloride 6-hydrateSCHEMBL27344866Calcium chloride hexahydrate, 98%NS00127956Calcium chloride hexahydrate, p.a., 99.0-105.0%Calcium chloride hexahydrate, tested according to Ph.Eur.Calcium chloride hexahydrate, Vetec(TM) reagent grade, 97%Calcium chloride hexahydrate, meets analytical specification of Ph. Eur., E509, 97-103%, <=0.0001% AlAntarcticiteMARKER DNA 200BPCALCIUM CHLORIDE 6H2O
Show more names
Calcium Chloride 99.99%CALCIUM CHLORIDE, HYDRATEDcalciumdichloridehexahydrateCALCIUM CHLORIDE HEXAHYDRATECALCII CHLORIDUM HEXAHYDRICUMCalsium dichloride hexahydrate
Database identifiers
- CAS
7774-34-7
Properties
Computed structural properties
- Topological polar surface area
- 6 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 2.8
Physicochemical properties
- Melting point
- 30 °C · 30 °C
- Density
- 1.71 g/mL · 1.71 g/mL at 25 °C(lit.)
- refractive index
- 1.52 · 1.52
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: 1 M at 20 °C, clear, colorless
- form
- Solid
- color
- Colorless
- PH
- 5 · 5.0-7.0 (25℃, 1M in H2O)
- Odor
- Odorless
- Water Solubility
- 5360 g/L · 5360 g/L (20 ºC)
- Sensitive
- Hygroscopic
- λmax
- 260 nm · λ: 260 nm Amax: 0.018λ: 280 nm Amax: 0.015
- Merck
- 14 · 14,1659
- Stability
- Stable. Incompatible with water, zinc, strong acids, methyl vinyl ether, bromine trifluoride, boron oxides.
- InChI
- 1S/Ca.2ClH.6H2O/h;2*1H;6*1H2/q+2;;;;;;;;/p-2
- InChIKey
- QHFQAJHNDKBRBO-UHFFFAOYSA-L
- SMILES
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 1
- tsca
- Yes
- rtecs
- EV9830000
- hs_code
- 28272000
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-24-22
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H319
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P280-P305+P351+P338-P337+P313
Chemistry & industry
Applications
UsesCalcium chloride hexahydrate has been used as a test compound for measuring the overall activity of low-molecular-weight antioxidants in biological samples by using ′total antioxidative capacity′ inhibition assay.
UsesCalcium chloride hexahydrate is a phase changing material (PCM) that is widely used in solar energy storage and building applications.
General DescriptionCalcium chloride hexahydrate is a non-toxic salt hydrate that can be used in phase change heat storage of low temperature heat. It has a latent heat of fusion as high as 170-190 kJ/Kg and a melting temperature of 29-30°C.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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