ChemicalBook--->CAS DataBase List--->80041-89-0

80041-89-0

80041-89-0 Structure

80041-89-0 Structure
IdentificationMore
[Name]

Isopropylboronic acid
[CAS]

80041-89-0
[Synonyms]

2-PROPANEBORONIC ACID
ISOPROPYLBORONIC ACID
PROPANE-2-BORONIC ACID
RARECHEM AH PB 0254
Isopropylboronicacid,98%
Isopropylboronic
[EINECS(EC#)]

676-846-5
[Molecular Formula]

C3H9BO2
[MDL Number]

MFCD01319021
[Molecular Weight]

87.91
[MOL File]

80041-89-0.mol
Questions And AnswerBack Directory
[Synthesis]

In a 15 mm diameter PTFE flat-bottomed tube, a preheated (55°C) solution of THF (6 mL) and benzene trifluoride (10 μL) was added to potassium trifluoroborate (5.28 x 10⁻⁵ mol) and glass powder (Grade 3, 20 mg). An aqueous solution of Cs₂CO₃ (1.58 x 10⁻⁴ mol) (0.6 mL) was added. The sample (0.3 mL) was placed in a pre-cooled (0°C) PTFE-lined NMR tube. Depending on the substrate, the reaction was stirred at 500 rpm at 55°C for 6–168 hours. The sample was periodically added to a pre-cooled (0°C) PTFE-lined NMR tube to obtain the product, isopropylboronic acid.
Synthesis of Isopropylboronic Acid

Chemical PropertiesBack Directory
[Appearance]

White flakes
[Melting point ]

95-100 °C (lit.)
[Boiling point ]

160.4±23.0 °C(Predicted)
[density ]

0.921±0.06 g/cm3(Predicted)
[storage temp. ]

Refrigerator (+4°C)
[form ]

Flakes
[pka]

10.49±0.43(Predicted)
[color ]

White
[Water Solubility ]

Soluble in water.
[Sensitive ]

Hygroscopic
[BRN ]

1731883
[InChI]

InChI=1S/C3H9BO2/c1-3(2)4(5)6/h3,5-6H,1-2H3
[InChIKey]

QIPHSSYCQCBJAX-UHFFFAOYSA-N
[SMILES]

B(C(C)C)(O)O
[CAS DataBase Reference]

80041-89-0(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[HS Code ]

29163990
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

White flakes
[Uses]

Isopropylboronic acid as a reagent is involved in copper-promoted cross-coupling, Domino Heck-Suzuki reactions, Suzuki-Miyaura type couple reactions and alkylation-hydride reduction sequence.
Spectrum DetailBack Directory
[Spectrum Detail]

Isopropylboronic acid(80041-89-0)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Isopropylboronic acid(80041-89-0)
[Alfa Aesar]

Isopropylboronic acid, 98%(80041-89-0)
[Sigma Aldrich]

80041-89-0(sigmaaldrich)
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