sodium tetrakis(1H-imidazol-1-yl)boranuide

• ChemBase ID: 149068
• Molecular Formular: C12H12BN8Na
• Molecular Mass: 302.07805
• Monoisotopic Mass: 302.11756711
• SMILES: [B-](n1ccnc1)(n1ccnc1)(n1ccnc1)n1ccnc1.[Na+]
• Canonical SMILES: c1ncn(c1)[B-](n1cncc1)(n1cncc1)n1cncc1.[Na+]
• InChI: InChI=1S/C12H12BN8.Na/c1-5-18(9-14-1)13(19-6-2-15-10-19,20-7-3-16-11-20)21-8-4-17-12-21;/h1-12H;/q-1;+1
• InChIKey: OVRFSDYWKKOQMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium tetrakis(1H-imidazol-1-yl)boranuide
• IUPAC Traditional name: sodium tetrakis(imidazol-1-yl)boranuide
• Synonyms: Sodium tetrakis(1-imidazolyl)borate; 四(1-咪唑基)硼酸钠

Database IDs

• CAS Number: 68146-65-6
• MDL Number: MFCD00012083
• PubChem SID: 24856899; 162243236
• PubChem CID: 23681131

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -7.67606
• LogD (pH = 7.4): -5.772094
• Log P: -4.3076
• Molar Refractivity: 78.494 cm^3
• Polarizability: 28.747532 Å^3
• Polar Surface Area: 71.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C12H12BN8Na

DETAILS

Sigma Aldrich - 279641

Packaging
5 g in glass bottle