Cas no 139494-68-1 (Sodium Tris(1,1,1,3,3,3-hexafluoroisopropoxy)borohydride)

Sodium Tris(1,1,1,3,3,3-hexafluoroisopropoxy)borohydride (NaBH(OCH(CF?)?)?) is a highly selective and air-stable reducing agent, primarily used in organic synthesis for the reduction of carbonyl compounds, imines, and other electrophilic substrates. Its key advantage lies in the electron-withdrawing hexafluoroisopropoxy groups, which significantly enhance the hydride-donating ability while maintaining mild reaction conditions. This reagent exhibits superior chemoselectivity, particularly in the presence of sensitive functional groups, and is effective in both aprotic and protic solvents. Its stability under ambient conditions simplifies handling compared to traditional borohydrides. Additionally, it demonstrates excellent reactivity in asymmetric reductions when paired with chiral catalysts, making it valuable for stereoselective synthesis.

Sodium Tris(1,1,1,3,3,3-hexafluoroisopropoxy)borohydride structure

139494-68-1 structure

Product Name:Sodium Tris(1,1,1,3,3,3-hexafluoroisopropoxy)borohydride

CAS No:139494-68-1

MF:C₉H₃BF₁₈NaO₃

MW:534.890357255936

MDL:MFCD16295193

CID:1288283

PubChem ID:125307330

Update Time:2025-07-02

Sodium Tris(1,1,1,3,3,3-hexafluoroisopropoxy)borohydride Chemical and Physical Properties

Names and Identifiers

- sodium tris[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]boranuide
- LogP
- Sodium Tris(1,1,1,3,3,3-hexafluoroisopropoxy)borohydride [Reducing Reagent]
- SODIUM TRIS(1,1,1,3,3,3-HEXAFLUOROISOPROPOXY)BOROHYDRIDE
- sodium,tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)boron(1-)
- S0810
- Sodium tris(1,1,1,3,3,3-hexafluoropropan-2-olato-kappaO)(hydrido)borate(1-)
- Sodium;tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)boron(1-)
- D92271
- 139494-68-1
- DTXSID00648744
- CID 25112531
- Borate(1-), tris(1,1,1,3,3,3-hexafluoro-2-propanolato)hydro-, sodium (1:1), (T-4)-
- MFCD16295193
- SCHEMBL5335942
- Sodium Tris(1,1,1,3,3,3-hexafluoroisopropoxy)borohydride
- MDL： MFCD16295193
- Inchi： 1S/C9H3BF18O3.Na/c11-4(12,13)1(5(14,15)16)29-10(30-2(6(17,18)19)7(20,21)22)31-3(8(23,24)25)9(26,27)28;/h1-3H;/q-1;+1
- InChI Key： FRRJTMMEYJQWIY-UHFFFAOYSA-N
- SMILES： [Na+].FC(C(C(F)(F)F)O[B-](OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F)(F)F |^1:9|

Computed Properties

Exact Mass: 534.97900
Monoisotopic Mass: 534.9785503g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 22
Heavy Atom Count: 32
Rotatable Bond Count: 3
Complexity: 450
Covalently-Bonded Unit Count: 2
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Topological Polar Surface Area: 27.7
Surface Charge: 0
Tautomer Count: nothing
XLogP3: nothing

Experimental Properties

Density: Not available
Melting Point: Not available
Boiling Point: Not available
Flash Point: Not available
PSA: 27.69000
LogP: 5.50070
Vapor Pressure: Not available

Sodium Tris(1,1,1,3,3,3-hexafluoroisopropoxy)borohydride Security Information

Symbol:
Prompt：warning
Signal Word：warning
Hazard Statement： H261
Warning Statement： P231+P232-P280-P370+P378-P402+P404-P501
Hazardous Material transportation number：UN 1409 4.3/PG II
Safety Instruction： H303+H313+H333
HazardClass：4.3
PackingGroup：II
Storage Condition：0-10°C

Sodium Tris(1,1,1,3,3,3-hexafluoroisopropoxy)borohydride Pricemore >>

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SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	S160971-1g	Sodium Tris(1,1,1,3,3,3-hexafluoroisopropoxy)borohydride	139494-68-1	>75.0%(T)	1g	￥223.90	2023-09-01
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abcr	AB331847-5 g	Sodium tris(1,1,1,3,3,3-hexafluoroisopropoxy)borohydride, 75%; .	139494-68-1	75%	5 g	€140.40	2023-07-19
TRC	S673790-50mg	Sodium Tris(1,1,1,3,3,3-hexafluoroisopropoxy)borohydride	139494-68-1		50mg	$ 50.00	2022-06-03
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