sodium boranuide

• ChemBase ID: 102741
• Molecular Formular: BNa
• Molecular Mass: 33.80077
• Monoisotopic Mass: 33.99907468
• SMILES: [BH3-].[Na+]
• Canonical SMILES: [BH3-].[Na+]
• InChI: InChI=1S/BH4.Na/h1H4;/q-1;+1
• InChIKey: YOQDYZUWIQVZSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium boranuide
• IUPAC Systematic name: Sodium boranuide
• IUPAC Traditional name: sodium boranuide; potassium borohydride
• Synonyms: VenPure®; Cobalt-doped sodium borohydride; Sodium borohydride solution; Sodium borohydride; VenPure® SF; VenPure® AF; Sodium Tetrahydroborate; SODIUM BOROHYDRIDE; Sodium borohydride, stable aq. soln., 4.4M in 14M NaOH; Sodium tetrahydridoborate; Sodium borohydride; Sodium borohydride on aluminum oxide; 钴掺杂的硼氢化钠; 硼氢化钠 溶液; 硼氢化钠; 硼氢化钠, 稳定水溶液, 4.4M的氢氧化钠溶液(14M); 四氢硼酸钠; 硼氢化钠; 氧化铝负载硼氢化钠

Database IDs

• CAS Number: 16940-66-2
• EC Number: 241-004-4
• MDL Number: MFCD00003518
• Merck Index: 148592
• PubChem SID: 24871724; 24868735; 24886165; 24868734; 24868683; 24868682; 24886166; 24852785; 24852901; 24886164; 24851986; 24868736; 24879549; 24854882; 24854625; 162089989; 24868733; 24882317
• PubChem CID: 4311764; 22959485
• CHEBI ID: 50985
• Chemspider ID: 26189
• Gmelin ID: 23167
• MeSH Name: Sodium+borohydride
• Wikipedia Title: Sodium_borohydride

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.804
• LogD (pH = 7.4): -1.804
• Log P: -1.804
• Molar Refractivity: 3.2 cm^3
• Polarizability: 3.2773068 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: soluble in liquid ammonia, amines, pyridine; Soluble in water, ammonia and amines. Insoluble in ether; soluble, reacts with water
• Apperance: -10+40 Mesh Granules; -4+16 Mesh Granules; 6.35mm dia x 12.7mm Caplets; caplets; caplets (18 × 10 × 8 mm); granular; Liquid; pellets; powder; Powder; tablets; white crystals ; hygroscopic
• Melting Point: >300 °C (dec.)(lit.); 400 °C; 400°C; 400°C dec.
• Boiling Point: 500 °C (dec.)
• Flash Point: 158 °F; 210.2 °F; 70 °C; 99 °C
• Auto Ignition Point: ca. 220 °C
• Density: 0.945 g/mL at 25 °C; 0.998 g/mL at 25 °C; 1.035 g/mL at 25 °C; 1.07 g/ml; 1.074; 1.0740 g/cm^3; 1.375 g/mL at 25 °C; 1.4

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• Storage Warning: Air Sensitive; Moisture Sensitive
• RTECS: ED3325000
• European Hazard Symbols: Corrosive (C); Flammable (F); Nature polluting (N); Toxic (T); X; Irritant (Xi)
• UN Number: 1426; 3094; 3129; 3320; 3398; UN1426; UN3320
• German water hazard class: 1; 2; 3
• Hazard Class: 4.3; 8
• Packing Group: 1; 2; 3; I; II
• Risk Statements: 15-19-21/22-34; 15-20/21/22-35; 15-23/24/25-34; 15-24/25-34; 21/22-35; 49-60-15-24/25-34-42/43-50/53-68; 60-61-19; 61-15-19-21/22-36/38-62; R:14-36/37/38
• Safety Statements: 22-26-36/37/39-43-45; 26-36/37/39-43.11-45; 26-36/37/39-43-45; 26-36/37/39-45; 53-22-26-36/37/39-43-45-61; 53-26-36/37-43-45; 53-45; 7/8-26-36/37/39-43-45; 7/8-9-20-23-26-36/37/39-43-45-60; S:8-25-26-30-37/39
• EU Classification: W2
• EU Hazard Identification Number: 4.3
• Emergency Response Guidebook(ERG) Number: 138
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• NFPA704:
  

  1

  2

  2

  W
• LD50: 160 mg/kg
• GHS Hazard statements: H260-H301 + H311-H314; H260-H301-H311-H314; H260-H301-H311-H314-H317-H334-H341-H350i-H360F-H410; H260-H314-H302-H313-H333; H260-H314-H360Df; H261-H302-H314; H301-H311-H331-H314-H318-H261; H302-H312-H314; H315-H319-H360FD
• GHS Precautionary statements: P201-P223-P231 + P232-P261-P370 + P378-P422; P201-P223-P231 + P232-P280-P370 + P378-P422; P201-P305 + P351 + P338-P308 + P313; P223-P231 + P232-P280-P301 + P310-P370 + P378-P422; P231 + P232-P280-P305 + P351 + P338-P310-P422; P231+P232-P260-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P303+P361+P353-P305+P351+P338-P310-P370+P378I-P402+P404; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges; Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges; Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1426 4.3/PG 1; UN 3094 8/PG 2; UN 3129 4.3/PG 3; UN 3320 8/PG 2; UN 3398 4.3/PG 3
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Purity: ~98%; ≥95%; ≥95.0%; ≥96% (gas-volumetric); ≥97.0% (gas-volumetric); ≥98%; ≥98.0%; ≥99%; 90% NaBH4 basis; 97+%; 98%; 98% min; 98-99%; 99%; 99.99% trace metals basis
• Concentration: ~12 wt. % in 14 M NaOH; 0.5 M in 2-methoxyethyl ether; 2.0 M in triethylene glycol dimethyl ether; 3 M in tetraglyme; 4.4M in 14M NaOH
• Grade: hydrogen-storage grade; purum; purum p.a.; ReagentPlus®; SAJ first grade
• Particle Size: 10-40 mesh
• Compostion: Cobalt (Doped)
• Impurities: ≤100 ppm Silica; 7.5% CoCl2
• Cation Traces: As: ≤0.05 mg/kg; Ca: ≤50 mg/kg; Cd: ≤50 mg/kg; Co: ≤50 mg/kg; Cu: ≤50 mg/kg; Fe: ≤5 ppm; Fe: ≤50 mg/kg; Hg: ≤0.05 mg/kg; K: ≤1000 mg/kg; Ni: ≤50 mg/kg; Pb: ≤50 mg/kg; Sb: ≤0.05 mg/kg; Se: ≤0.05 mg/kg; Sn: ≤0.05 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤5000 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Contains: ~0.5% magnesium carbonate as anticaking agent; ≤100 ppm MgCO3 as anticaking agent; 0.45-0.70% Magnesium carbonate as anticaking agent
• Extent of Labeling: ~10 wt. % loading
• Quality Level: PREMIUM
• Matrix: basic alumina support
• Quality: for the determination of hydride formers by AAS
• Diameter: 8 mm
• Size: 18 mm × 10 mm × 8 mm
• Linear Formula: NaBH4; NaBH4 · (Al2O3)x

DETAILS

MP Biomedicals - 02102894

Hygroscopic
Purity: 98-99%
Crystalline
Excellent reducing agent.

Sigma Aldrich - 452890

Packaging
2 kg in steel drum
25, 100, 500 g in poly bottle
Legal Information
Rohm & Haas product
VenPure is a registered trademark of Rohm and Haas Chemicals LLC

Sigma Aldrich - 632287

Packaging
100, 500 g in poly bottle
2 kg in steel drum
Legal Information
Rohm & Haas product
VenPure is a registered trademark of Rohm and Haas Chemicals LLC

Sigma Aldrich - 556351

Packaging
25 mL in glass bottle

Sigma Aldrich - 213462

Packaging
25, 100 g in poly bottle
Application
Nanocrystalline superlattices in gold colloid solution have been prepared by ligand-induction using AuCl3 reduced with sodium borohydride.1 Nucleophilic addition of hydride ion from sodium borohydride is an inexpensive alternative method for the Baylis-Hillman reaction to form [E]-α-methylcinnamic acids.2
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 243620

Application
Supported reagent which is often more selective and easier to use than free NaBH4.
Packaging
10, 50 g in glass bottle

Sigma Aldrich - 452165

Features and Benefits
Formulated for color and odor removal
Packaging
100 g in poly bottle
2 kg in steel drum
Legal Information
Rohm & Haas product
VenPure is a registered trademark of Rohm and Haas Chemicals LLC

Sigma Aldrich - 480886

Packaging
25, 100 g in poly bottle
Application
Nanocrystalline superlattices in gold colloid solution have been prepared by ligand-induction using AuCl3 reduced with sodium borohydride.1 Nucleophilic addition of hydride ion from sodium borohydride is an inexpensive alternative method for the Baylis-Hillman reaction to form [E]-α-methylcinnamic acids.2

Sigma Aldrich - 452904

Packaging
1 L in poly bottle
25 mL in poly bottle
Legal Information
Rohm & Haas product

Sigma Aldrich - 452874

Packaging
100 g in poly bottle
25 g in amber poly
2 kg in steel drum
500 g in amber poly
Legal Information
Product of Rohm & Haas
VenPure is a registered trademark of Rohm and Haas Chemicals LLC
Application
Nanocrystalline superlattices in gold colloid solution have been prepared by ligand-induction using AuCl3 reduced with sodium borohydride.1 Nucleophilic addition of hydride ion from sodium borohydride is an inexpensive alternative method for the Baylis-Hillman reaction to form [E]-α-methylcinnamic acids.2

Sigma Aldrich - 200972

Packaging
100 mL in Sure/Seal™

Sigma Aldrich - 686018

Analysis Note
Hydrogen content, XRD plots and metal purity data are available upon request.
General description
Atomic number of base material: 11
Packaging
10 g in poly bottle
Protocols & Applications
Metal Borohydrides as Hydrogen Storage Materials
Boron-based Hydrogen Storage

Sigma Aldrich - 71320

Other Notes
Reduction of carboxylic acid derivatives 1,2

Sigma Aldrich - 452882

Packaging
2 kg in steel drum
5, 25, 100, 500 g in poly bottle
Legal Information
Rohm & Haas product
VenPure is a registered trademark of Rohm and Haas Chemicals LLC
Application
Nanocrystalline superlattices in gold colloid solution have been prepared by ligand-induction using AuCl3 reduced with sodium borohydride.1 Nucleophilic addition of hydride ion from sodium borohydride is an inexpensive alternative method for the Baylis-Hillman reaction to form [E]-α-methylcinnamic acids.2

Sigma Aldrich - 452173

Features and Benefits
Formulated for color and odor removal
Packaging
100, 500 g in poly bottle
Legal Information
Product of Rohm & Haas
VenPure is a registered trademark of Rohm and Haas Chemicals LLC

Sigma Aldrich - 247677

Features and Benefits
A convenient solid source of hydrogen gas. Each pellet readily liberates ~500mL of hydrogen gas upon contact with water. Useful for producing an anaerobic reducing atmosphere in biological experiments. Cobalt-doped
Packaging
50 g in poly bottle

Sigma Aldrich - 215511

Packaging
100 mL in Sure/Seal™

REFERENCES

• The reduction of aldehydes and ketones to alcohols occurs in alcoholic or aqueous media. For highly selective reduction of aldehydes in the presence of ketones, see: Synth. Commun., 18, 1927 (1988). For enantioselective reduction, see L-tert-Leucine, L13707. Borohydride reductions can be carried out in organic solvents, e.g. toluene, under phase-transfer conditions, amenable to scale-up: Org. Process Res. Dev., 1, 287 (1997).
• Hydroboration of olefins has also been reported under similar conditions: Synlett, 997 (2000).
• Acid chlorides are readily reduced to alcohols; controlled reduction at -78^o to give the aldehyde has been reported; see, e.g.: Synth. Commun., 12, 839 (1982). See also Bis(triphenylphosphine)copper(I) borohydride, A13730. For an indirect method of reduction, see Triethyl phosphite, L00339.
• A vast number of modified borohydride reagents have been reported, with the objective either of increasing the reducing power or improving selectivity. Many examples involve combinations with metal salts:
• Reductive alkylation of amines can be effected with NaBH₄/formaldehyde; see e.g.: Synthesis, 743 (1980); or TFA: Synthesis, 709 (1987). See also Sodium cyanoborohydride, 87839. Reductive alkylation of aromatic amines with a variety of aldehydes and ketones has been reported, using NaBH₄/H₂SO₄: Synthesis, 121 (1993).
• For a brief feature on uses of the reagent in synthesis, see: Synlett, 182 (2005).
• Monograph: J. Seyden-Penne, Reductions by the Alumino- and Borohydrides In Organic Synthesis, 2nd ed., Wiley, N.Y. (1997).
• LiCl: reduction of amino acids via Me esters: Tetrahedron Lett., 39, 917 (1998). CaCl₂: selective 1,2-reduction enones: Chem. Lett., 1847 (1991). CeCl₃: increased selectivity for 1,2-reduction of enones: J. Chem. Soc., Chem. Commun., 601 (1978); reduction of ketones in the presence of aldehydes: J. Am. Chem. Soc., 101, 5848 (1979). CuCl: dehalogenation of aryl iodides and bromides: J. Org. Chem., 54, 5308 (1989); reduction of nitro compounds: Chem. Ind. (London), 75 (1984). CuSO₄: reduction of esters, alkenes, nitriles and nitro compounds; amides and acids inert: Synlett, 419 (1990) [but see also Synlett, 79 (1993): Cu(OAc)₂ preferred for reduction of nitro-groups]; reduction of azides: Synth. Commun., 24, 549 (1994). NiCl₂: generation in situ of nickel boride, as an alternative to Raney nickel for desulfurizations: Synth. Commun., 16, 779 (1986); J. Chem. Soc., Chem. Commun., 819 (1990); J. Org. Chem., 57, 1986 (1992); 58, 2407 (1993); phenols and enols have also been deoxygenated: J. Chem. Soc., Perkin 1, 1897 (1992), and aryl nitrile reduced to benzylamines: Synth. Commun, 32, 1265 (2002). For conversion to Zn(BH₄)₂, see Zinc chloride, A16281. InCl₃: radical reducing system - alternative to Bu₃SnH: J. Am. Chem. Soc., 124, 906 (2002) _.
• The combination of borohydride and iodine (in situ borane) reduces acids to alcohols: J. Org. Chem., 56, 5964 (1991); amino acids to amino alcohols: J. Org. Chem., 58, 3568 (1993); and effects reduction of esters, amides and nitriles, as well as hydroboration of alkenes: Tetrahedron, 45, 4623 (1992). See also Boron trifluoride diethyl etherate, A15275, and Sodium triacetoxyborohydride, B22060.