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| CAS No.: | 56553-60-7 |
|---|---|
| Name: | Sodium triacetoxyborohydride |
| Article Data: | 22 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H10BNaO6 |
| Molecular Weight: | 211.943 |
| Synonyms: | Sodium Triacetoxyborohydride (STAB);Sodium triacetoxyborohyride;Sodium triacetoborohydride;Sodium Triacetoxysborobydride; |
| EINECS: | 411-950-4 |
| Density: | 1.36[at 20℃] |
| Melting Point: | 116-120 °C (dec.)(lit.) |
| Boiling Point: | 111.1℃[at 101 325 Pa] |
| Solubility: | reacts with water |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 F,  Xi,  C
|
| Risk Codes: | 15-34-14/15 |
| Safety: | 43-7/8-45-36/37/39-26 |
| Transport Information: | UN 1409 4.3/PG 2 |
| PSA: | 78.90000 |
| LogP: | -0.60710 |
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sodium tetrahydroborate
- 56553-60-7
sodium tris(acetoxy)borohydride
| Conditions | Yield |
|---|---|
| With acetic acid In benzene byproducts: H2; under N2-atmosphere; slurry of NaBH4 in benzene cooled (10°C); CH3COOH added dropwise (temp. < 20°C); mixt. warmed (ambient temp.) and stirred for 8h;; filtration; white powder washed (ether) and held under vacuum over night; elem. anal.;; | 92% |
- 64-19-7
acetic acid
- 56553-60-7
sodium tris(acetoxy)borohydride
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In benzene | |
| With sodium tetrahydroborate at 15 - 20℃; | |
| With sodium tetrahydroborate In 2-methylpropyl acetate at 0 - 5℃; for 1h; | |
| With sodium tetrahydroborate In dichloromethane for 2h; | |
| With sodium tetrahydroborate In tetrahydrofuran at 0 - 20℃; Inert atmosphere; Schlenk technique; |
| Conditions | Yield |
|---|---|
| In 1,4-dioxane addn. of soln. of tris(acetoxy)borane in dry dioxane to suspension of NaH in dry dioxane; refluxing of mixt. for 4 h; Na(HB(OCOCH3)3) and small amts. of Na(H2B(OCOCH3)2) obtained; | |
| In 1,4-dioxane boiling the mixture 4 hours long; | |
| In 1,4-dioxane on boiling, pptn. of NaBH(OCOCH3)3, small amounts of NaBH2(OCOCH3)2 in the filtrate;; |
| Conditions | Yield |
|---|---|
| In N,N-dimethyl acetamide Kinetics; byproducts: H2; NaBH4 charged into an acetic acid/N,N-dimethylacetamide soln. at -10°C, warmed to 22°C, aged; the process studied in a calorimeterto evaluate thermal hazards; | |
| refluxing Na with glacial acetic acid in ratio of 4:3.25 equivalents for 15 min. under N2; | |
| refluxing Na with glacial acetic acid in ratio of 4:3.25 equivalents for 15 min. under N2; |
- 56553-60-7
sodium tris(acetoxy)borohydride
| Conditions | Yield |
|---|---|
| In tetrahydrofuran for 24h; Heating; | 100% |
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sodium tris(acetoxy)borohydride
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| Conditions | Yield |
|---|---|
| In acetonitrile at 60℃; for 15h; | 99.9% |
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sodium tris(acetoxy)borohydride
| Conditions | Yield |
|---|---|
| In dichloromethane; acetic acid at 25℃; for 20h; | 99% |
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sodium tris(acetoxy)borohydride
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| Conditions | Yield |
|---|---|
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benzyl 4-oxo-1-piperidinecarboxylate
- 56553-60-7
sodium tris(acetoxy)borohydride
| Conditions | Yield |
|---|---|
| Stage #1: 3-methoxyazetidine hydrochloride; benzyl 4-oxo-1-piperidinecarboxylate With acetic acid In tetrahydrofuran at 20℃; for 0.666667h; Stage #2: sodium tris(acetoxy)borohydride In tetrahydrofuran at 0 - 20℃; | 99% |
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Chemistry
Molecular Structure of Sodium triacetoxyborohydride (CAS NO.56553-60-7):
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IUPAC Name: sodium triacetyloxyboranuide
Empirical Formula: C6H10BNaO6
Molecular Weight: 211.9408
CAS Registry Number: 56553-60-7
H bond acceptors: 6
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 78.9 Å2
Melting point: 116-120 °C (dec.)(lit.)
Storage Temp: Flammables + water-Freezer (-20°C)e area
Water Solubility: Reacts
Sensitive: Moisture Sensitive
Chemical Stability: Stable under normal temperatures and pressures. Moisture sensitive.
Conditions to Avoid: High temperatures, incompatible materials, dust generation, exposure to moist air or water.
Incompatibilities with Other Materials Strong oxidizing agents, acids, alcohols.
InChI
InChI=1/C6H10BO6.Na/c1-4(8)11-7(12-5(2)9)13-6(3)10;/h7H,1-3H3;/q-1;+1
Smiles
[Na+].CC(=O)O[BH-](OC(C)=O)OC(C)=O
Product Categories: Boron compounds; Selectivity reducing agent; B (Classes of Boron Compounds); Classes of Metal Compounds; Na (Sodium) Compounds (excluding simple sodium salts); Reduction; Synthetic Organic Chemistry; Tetrahydroborates; Typical Metal Compounds; Borohydrides; Synthetic Reagents; organic intermediates
Safety Profile
Hazard Codes: 
F,
Xi,
C
Risk Statements: 15-34-14/15
R15:Contact with water liberates extremely flammable gases
R34:Causes burns
R14/15:Reacts violently with water, liberating extremely flammable gases
Safety Statements: 43-7/8-45-36/37/39-26
S43:In case of fire, use ... (indicate in the space the precise type of fire-fighting equipment. If water increases the risk add - Never use water)
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
S7/8:Keep container tightly closed and dry
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection
RIDADR: UN 1409 4.3/PG 2
WGK Germany: 3
Hazard Note: Irritant/Flammable
HazardClass: 4.3
PackingGroup: III
Specification
Sodium triacetoxyborohydride , with CAS number of 56553-60-7, can be called Sodium Triacetoxyborohydride (STAB) ; Sodium triacetoxy borohydride ; Sodium triacetoxyborohydride(STAB)Triacetoxyborohydride sodium salt ; Sodium triacetoxyborohyride ; Sodium triacetoborohydride ; Sodium Triacetoxysborobydride ; SATBSodium Triacetoxyborohydride ; Sodium triacetoxyborohydride 99% ; Sodium triacetoxyborohydride(STAB) . It is a white powder.