(chlorooxy)calcio hypochlorite

• ChemBase ID: 156336
• Molecular Formular: CaCl2O2
• Molecular Mass: 142.9828
• Monoisotopic Mass: 141.89012558
• SMILES: O(Cl)[Ca]OCl
• Canonical SMILES: ClO[Ca]OCl
• InChI: InChI=1S/Ca.2ClO/c;2*1-2/q+2;2*-1
• InChIKey: ZKQDCIXGCQPQNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (chlorooxy)calcio hypochlorite
• IUPAC Traditional name: (chlorooxy)calcio hypochlorite
• Synonyms: Calcium hypochlorite; 次氯酸钙

Database IDs

• CAS Number: 7778-54-3
• EC Number: 231-908-7
• MDL Number: MFCD00010900
• PubChem SID: 162250474; 24852684
• PubChem CID: 11137272

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3114
• LogD (pH = 7.4): 1.3114
• Log P: 1.3114
• Molar Refractivity: 14.973 cm^3
• Polarizability: 9.028445 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: granular
• Melting Point: 100 °C(lit.)
• Density: 2.35 g/mL at 25 °C(lit.)

Safety Information

• RTECS: NH3485000
• European Hazard Symbols: Corrosive (C); Nature polluting (N); Oxidising (O)
• UN Number: 1748
• German water hazard class: 3
• Hazard Class: 5.1
• Packing Group: 2
• Risk Statements: 8-22-31-34-50
• Safety Statements: 26-36/37/39-45-61
• GHS Pictograms: GHS03; GHS05; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H272-H302-H314-H400
• GHS Precautionary statements: P220-P273-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1748 5.1/PG 2
• Supplemental Hazard Statements: Contact with acids liberates toxic gas.

Product Information

• Purity: ≥65% (iodometric); 60-75% free chlorine basis (RT)
• Grade: purum; SAJ first grade; technical; technical grade
• Compostion: available chlorine, ≥60%; available chlorine, 65%
• Linear Formula: Ca(OCl)2

DETAILS

Sigma Aldrich - 211389

Packaging
1 kg in poly bottle
250 g in poly bottle
5 g in glass bottle