(2H3)boric acid

• ChemBase ID: 148967
• Molecular Formular: BH3O3
• Molecular Mass: 61.83302
• Monoisotopic Mass: 62.01752436
• SMILES: OB(O)O
• Canonical SMILES: OB(O)O
• InChI: InChI=1S/BH3O3/c2-1(3)4/h2-4H
• InChIKey: KGBXLFKZBHKPEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₃)boric acid
• IUPAC Traditional name: (^2H₃)boric acid
• Synonyms: Boric acid-d3; 硼酸-d3

Database IDs

• CAS Number: 14149-58-7
• MDL Number: MFCD00075279
• PubChem SID: 24861210; 162243137
• PubChem CID: 16212252

CALCULATED PROPERTIES

• Acid pKa: 8.698678
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.5088733
• LogD (pH = 7.4): -0.52978307
• Log P: -0.5086
• Molar Refractivity: 7.6938 cm^3
• Polarizability: 4.916464 Å^3
• Polar Surface Area: 60.69 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: M+3

Safety Information

• European Hazard Symbols: Toxic (T)
• German water hazard class: 1
• Risk Statements: 60-61
• Safety Statements: 53-45
• GHS Pictograms: GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H360FD
• GHS Precautionary statements: P201-P308 + P313

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 64.79 by atom % calculation
• Linear Formula: D3BO3

DETAILS

Sigma Aldrich - 343846

Packaging
5 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.