calcium dioxoborinate

• ChemBase ID: 110641
• Molecular Formular: B2CaH2O4
• Molecular Mass: 127.71348
• Monoisotopic Mass: 127.97651032
• SMILES: [Ca+2].[O-][BH]=O.[O-][BH]=O
• Canonical SMILES: [O-][BH]=O.[O-][BH]=O.[Ca+2]
• InChI: InChI=1S/2BO2.Ca/c2*2-1-3;/q2*-1;+2
• InChIKey: ILOKQJWLMPPMQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium dioxoborinate
• IUPAC Traditional name: calcium dioxoborinate; calcium(2+) diboron oxide hydroxide; calcium diboron oxide hydroxide
• Synonyms: CALCIUM METABORATE; Calcium borate; Calcium metaborate; 硼酸钙; 偏硼酸钙

Database IDs

• CAS Number: 13701-64-9
• EC Number: 237-224-5
• MDL Number: MFCD00049397
• PubChem SID: 162088959
• PubChem CID: 10290800

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.19313604
• LogD (pH = 7.4): -0.44406706
• Log P: 0.2124
• Molar Refractivity: 2.8858 cm^3
• Polarizability: 2.9952743 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 6.840891

PROPERTIES

Physical Property

• Apperance: powder; Powder

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 31-37% CaO basis; 39-44% B2O3 basis; 99.992% (metals basis)
• Grade: technical
• Linear Formula: Ca(BO2)2 · 2H2O

DETAILS

MP Biomedicals - 05215790

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 11618

Packaging
1 kg in poly bottle