sodium trimethoxyboranuide

• ChemBase ID: 158643
• Molecular Formular: C3H9BNaO3
• Molecular Mass: 126.90253
• Monoisotopic Mass: 127.05424383
• SMILES: [B-](OC)(OC)OC.[Na+]
• Canonical SMILES: CO[B-](OC)OC.[Na+]
• InChI: InChI=1S/C3H10BO3.Na/c1-5-4(6-2)7-3;/h4H,1-3H3;/q-1;+1
• InChIKey: NTDOFGWTIAZCKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium trimethoxyboranuide
• IUPAC Traditional name: sodium trimethoxyboranuide
• Synonyms: Sodium trimethoxyborohydride; 三甲氧基硼氢化钠

Database IDs

• CAS Number: 16940-17-3
• EC Number: 241-003-9
• MDL Number: MFCD00012422
• PubChem SID: 162252779; 24853041
• PubChem CID: 23713393

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.2509
• LogD (pH = 7.4): -0.2509
• Log P: -0.2509
• Molar Refractivity: 21.9407 cm^3
• Polarizability: 10.705934 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 3396
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 11-15-36/37/38
• Safety Statements: 16-26-33-36/37/39-43
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H261-H315-H319-H335
• GHS Precautionary statements: P210-P231 + P232-P261-P305 + P351 + P338-P422
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3396 4.3/PG 2

Product Information

• Grade: technical grade
• Linear Formula: NaB(OCH3)3H

DETAILS

Sigma Aldrich - 217956

Packaging
10, 50 g in glass bottle