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7774-34-7 molecular structure
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dichlorocalcium hexahydrate

ChemBase ID: 147984
Molecular Formular: CaCl2H12O6
Molecular Mass: 219.07568
Monoisotopic Mass: 217.96368444
SMILES and InChIs

SMILES:
O.O.O.O.O.O.Cl[Ca]Cl
Canonical SMILES:
Cl[Ca]Cl.O.O.O.O.O.O
InChI:
InChI=1S/Ca.2ClH.6H2O/h;2*1H;6*1H2/q+2;;;;;;;;/p-2
InChIKey:
QHFQAJHNDKBRBO-UHFFFAOYSA-L

Cite this record

CBID:147984 http://www.chembase.cn/molecule-147984.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dichlorocalcium hexahydrate
IUPAC Traditional name
dichlorocalcium hexahydrate
Synonyms
Calcium chloride hexahydrate
Calcii chloridum hexahydricum
氯化钙 六水合物
六水氯化钙
CAS Number
7774-34-7
MDL Number
MFCD00149616
PubChem SID
162242164
24852652
24847428
24852651
24868038
PubChem CID
24486

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 24486 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.769  LogD (pH = 7.4) 0.769 
Log P 0.769  Molar Refractivity 12.2726 cm3
Polarizability 7.342525 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble1 M at 20 °C, clear, colorless expand Show data source
Apperance
solid expand Show data source
Melting Point
30 °C expand Show data source
Density
1.71 g/mL at 25 °C(lit.) expand Show data source
Absorption Wavelength
λ: 260 nm Amax: 0.018 expand Show data source
λ: 280 nm Amax: 0.015 expand Show data source
Transition Temperature
solidification point 28-30 °C expand Show data source
pH
5.0-7.0 (25 °C, 1 M in H2O) expand Show data source
RTECS
EV9830000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Risk Statements
36 expand Show data source
Safety Statements
22-24 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H319 expand Show data source
GHS Precautionary statements
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥99% (calc. based on dry substance, KT) expand Show data source
≥99.0% (calc. based on dry substance, KT) expand Show data source
97-103% expand Show data source
98% expand Show data source
Grade
Ph Eur expand Show data source
purum p.a. expand Show data source
Impurities
≤0.0001% Al expand Show data source
≤0.001% heavy metals (as Pb) expand Show data source
≤0.3% subst. not precip. by ammonium oxalate (as SO4) expand Show data source
Insoluble matter, passes filter test expand Show data source
Cation Traces
Al: ≤1 mg/kg expand Show data source
As: ≤0.1 mg/kg expand Show data source
As: ≤1 mg/kg expand Show data source
Ba: ≤5 mg/kg expand Show data source
Bi: ≤5 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Cd: ≤50 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Co: ≤50 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Cu: ≤50 mg/kg expand Show data source
Fe: ≤5 mg/kg expand Show data source
Fe: ≤50 mg/kg expand Show data source
Hg: ≤1 mg/kg expand Show data source
K: ≤100 mg/kg expand Show data source
K: ≤50 mg/kg expand Show data source
Li: ≤5 mg/kg expand Show data source
Mg: ≤50 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Mo: ≤5 mg/kg expand Show data source
Na: ≤1000 mg/kg expand Show data source
Na: ≤500 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Ni: ≤50 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Pb: ≤50 mg/kg expand Show data source
Zn: ≤5 mg/kg expand Show data source
Zn: ≤50 mg/kg expand Show data source
Antion Traces
sulfate (SO42-): ≤100 mg/kg expand Show data source
Quality
meets analytical specification of Ph. Eur., E509 expand Show data source
λ
1 M in H2O expand Show data source
Pharmacopeia
testing & handling conforms to Pharmacopeia expand Show data source
Product Line
BioUltra expand Show data source
Empirical Formula (Hill Notation)
CaCl2 · 6H2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 21108 external link
Caution
may also be liquid at temperatures >28°C
Sigma Aldrich - 442909 external link
Packaging
1, 2.5 kg in poly bottle
Sigma Aldrich - 21110 external link
Caution
may also be liquid at temperatures >28°C

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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