calcium dioxidanediide

• ChemBase ID: 126352
• Molecular Formular: CaO2
• Molecular Mass: 72.0768
• Monoisotopic Mass: 71.95242022
• SMILES: [Ca+2].[O-][O-]
• Canonical SMILES: [O-][O-].[Ca+2]
• InChI: InChI=1S/Ca.O2/c;1-2/q+2;-2
• InChIKey: LHJQIRIGXXHNLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium dioxidanediide
• IUPAC Traditional name: calcium peroxide
• Synonyms: Calcium peroxide; E930; Calcium peroxide; 过氧化钙

Database IDs

• CAS Number: 1305-79-9; 78403-22-2
• EC Number: 215-139-4
• MDL Number: MFCD00015988
• Merck Index: 141689
• PubChem SID: 24870335
• PubChem CID: 14779
• CHEBI ID: 48233
• Chemspider ID: 14096
• Unique Ingredient Identifier: 7FRO2ENO91
• Wikipedia Title: Calcium_peroxide

CALCULATED PROPERTIES

• Acid pKa: 11.520607
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.44720283
• LogD (pH = 7.4): -0.44723517
• Log P: -0.4472024
• Molar Refractivity: 2.8858 cm^3
• Polarizability: 1.6641 Å^3
• Polar Surface Area: 46.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: decomposes in water; Slightly soluble in water. Soluble in acids
• Apperance: powder; Powder; white or yellowish powder
• Melting Point: ~200 °C (decomp.); >365 °C
• Density: 2.91 g/cm^3
• Refractive Index: 1.895
• pKa: 12.5
• Odor: odorless

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: EW3865000
• European Hazard Symbols: Corrosive (C); Oxidising (O); Irritant (Xi)
• UN Number: 1457; UN1457
• German water hazard class: 1
• Hazard Class: 5.1
• Packing Group: 2; II
• Risk Statements: 8-34; 9-36/37/38
• Safety Statements: 17-20-26-36/37/39-45-60; 17-26
• TSCA Listed: 是
• EU Index: Not listed
• GHS Pictograms: GHS03; GHS05; GHS07
• GHS Signal Word: Danger
• LD50: ; >5000 mg/kg (oral, rat) ; >10000 mg/kg (dermal, rat)
• GHS Hazard statements: H272-H314-H318; H272-H315-H319-H335
• GHS Precautionary statements: P220-P261-P305 + P351 + P338; P221-P210-P303+P361+P353-P305+P351+P338-P405-P501A
• Personal Protective Equipment: Eyeshields, 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 1457 5.1/PG 2

Product Information

• Purity: 75%; typically 65%
• Particle Size: -200 mesh
• Empirical Formula (Hill Notation): CaO2

DETAILS

Sigma Aldrich - 466271

Other Notes
Remainder calcium hydroxide
Packaging
1 kg in glass bottle
250 g in glass bottle