sodium cyano(2H3)boranuide

• ChemBase ID: 151288
• Molecular Formular: CH3BNNa
• Molecular Mass: 62.84199
• Monoisotopic Mass: 63.02562378
• SMILES: [BH2-]C#N.[Na+]
• Canonical SMILES: [BH2-]C#N.[Na+]
• InChI: InChI=1S/CH3BN.Na/c2-1-3;/h2H3;/q-1;+1
• InChIKey: CVDUGUOQTVTBJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium cyano(^2H₃)boranuide
• IUPAC Traditional name: sodium cyano(^2H₃)boranuide
• Synonyms: Sodium cyanoborodeuteride; 氰基硼氘化钠

Database IDs

• CAS Number: 25895-62-9
• EC Number: 247-318-8
• MDL Number: MFCD00003517
• PubChem SID: 162245444; 24851410
• PubChem CID: 23666334

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.5879
• LogD (pH = 7.4): -1.5879
• Log P: -1.5879
• Molar Refractivity: 9.0556 cm^3
• Polarizability: 4.7723866 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >242 °C (dec.)(lit.)
• Mass Shift: M+3

Safety Information

• European Hazard Symbols: Flammable (F); Highly toxic (T+)
• UN Number: 3179
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 11-26/27/28-32-33-34
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H300 +H310 + H330-H314
• GHS Precautionary statements: P210-P260-P264-P280-P284-P301 + P310
• RID/ADR: UN 3179 4.1/PG 2

Product Information

• Purity: 98% (CP)
• Isotopic Purity: 96 atom % D
• Mol. Weight: mol wt 65.80 by atom % calculation
• Linear Formula: NaBD3CN

DETAILS

Sigma Aldrich - 190020

Packaging
1 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.