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98139-72-1

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98139-72-1 Structure

98139-72-1 Structure
IdentificationBack Directory
[Name]

3-METHYL-1-BUTYLBORONIC ACID
[CAS]

98139-72-1
[Synonyms]

Isopentylboronicaci
(3-METHYLBUTYL)BORONIC ACID
isopentylboronic acid(WXC03330)
Boronic acid, B-(3-methylbutyl)-
[Molecular Formula]

C5H13BO2
[MDL Number]

MFCD07784365
[MOL File]

98139-72-1.mol
[Molecular Weight]

115.97
Chemical PropertiesBack Directory
[Melting point ]

80-91 °C
[Boiling point ]

199.7±23.0 °C(Predicted)
[density ]

0.903±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Store in freezer, under -20°C
[form ]

solid
[pka]

10.37±0.43(Predicted)
[color ]

White
[InChI]

InChI=1S/C5H13BO2/c1-5(2)3-4-6(7)8/h5,7-8H,3-4H2,1-2H3
[InChIKey]

UVMWVBMFEDQYRW-UHFFFAOYSA-N
[SMILES]

B(CCC(C)C)(O)O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P280-P261
[Safety Statements ]

24/25
[WGK Germany ]

3
[HS Code ]

29319090
[Storage Class]

13 - Non Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

solid
[Uses]

Reactant for:
  • Selective copper-promoted cross-coupling with aromatic amines
  • Synthesis of indazole based analog sensitive Akt inhibitors
  • Preparation of alkylarenes via tetraphosphine-palladium-catalyzed Suzuki cross-coupling with aryl halides
Spectrum DetailBack Directory
[Spectrum Detail]

3-METHYL-1-BUTYLBORONIC ACID(98139-72-1)1HNMR
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