calcium dioxochromiumbis(olate)

• ChemBase ID: 126334
• Molecular Formular: CaCrO4
• Molecular Mass: 156.0717
• Monoisotopic Mass: 155.88275696
• SMILES: [Ca+2].[O-][Cr](=O)(=O)[O-]
• Canonical SMILES: [O-][Cr](=O)(=O)[O-].[Ca+2]
• InChI: InChI=1S/Ca.Cr.4O/q+2;;;;2*-1
• InChIKey: RFAFBXGYHBOUMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium dioxochromiumbis(olate)
• IUPAC Traditional name: calcium chromate(2-)
• Synonyms: Calcium chromate (VI); Calcium monochromate; Calcium Chrome Yellow; C. I. Pigment Yellow 33; Gelbin; Yellow Ultramarine; Calcium chromate; Calcium chromate; 铬酸钙

Database IDs

• CAS Number: 13765-19-0
• EC Number: 237-366-8; 237-66-8
• MDL Number: MFCD00049403
• PubChem SID: 162220671
• PubChem CID: 26264
• Chemspider ID: 24471
• Wikipedia Title: Calcium_chromate

CALCULATED PROPERTIES

• Acid pKa: -2.30103
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -6.720884
• LogD (pH = 7.4): -7.0465326
• Log P: -2.5252
• Molar Refractivity: 5.7716 cm^3
• Polarizability: 6.1887565 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: anhydrous

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  4.5 g/100 mL (0 °C) ; 2.25 g/100 mL (20 °C) ; dihydrate

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  16.3 g/100mL (20 °C) ; 18.2 g/100mL (40 °C) in water; soluble in acid ; practically insoluble in alcohol
• Apperance: -20 Mesh; bright yellow powder
• Melting Point: 2710 °C
• Density: 3.12 g/cm^3

Safety Information

• RTECS: GB2750000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN3087
• Hazard Class: 5.1
• Packing Group: III
• Risk Statements: 45-22-50/53
• Safety Statements: 53-45-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS03; GHS07; GHS09
• GHS Hazard statements: H272-H400-H410-H302
• GHS Precautionary statements: P221-P210-P220-P280-P301+P312-P501A

Product Information

• Purity: 99.9% (metals basis)