(3-Methylbutyl)boronic acid

Basic Information

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CAS Number

98139-72-1

Molecular Formula

C5H13BO2

Molecular Weight

115.97 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

80-102°C

SMILES

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B(CCC(C)C)(O)O

InChI

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

InChIKey

UVMWVBMFEDQYRW-UHFFFAOYSA-N

LogP

0.5052999999999999

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

54.4

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

SY024043
3-METHYLBUTYLBORONIC ACID
CS-0154235
EN300-1252973
UVMWVBMFEDQYRW-UHFFFAOYSA-N
Isopentylboronic acid
98139-72-1
D70604
Boronic acid, (3-methylbutyl)-
AS-18761
3-Methyl-1-butylboronic acid
DTXSID20567680
MFCD07784365
AKOS010056436
Isopentylboronicacid
AM90168
(3-METHYLBUTYL)BORONIC ACID
SCHEMBL2405684
3-methylbutylboronic acid
Boronic acid,(3-methylbutyl)- (9CI)
isopentylboronic acid

MDL Number

MFCD07784365

Customs Code

2931900090

FAQ

What is (3-Methylbutyl)boronic acid (CAS: 98139-72-1)?

(3-Methylbutyl)boronic acid is an organic compound with the molecular formula C6H11BO2. It is a colorless or white crystalline solid with a pungent odor. The compound has a melting point of 67-69°C and is soluble in water and ethanol.

What are the main uses of (3-Methylbutyl)boronic acid (CAS: 98139-72-1)?

(3-Methylbutyl)boronic acid is primarily used in the synthesis of boron-containing compounds and in organic chemistry for reactions like esterification and carboxylation. It is also used as a reagent in various analytical and preparative processes.

Is (3-Methylbutyl)boronic acid (CAS: 98139-72-1) safe?

(3-Methylbutyl)boronic acid is considered safe when handled properly. However, it should be used with caution due to its irritant properties. Protective gloves and goggles should be worn, and it should be kept away from heat and open flames. Spills should be handled with caution and disposed of according to local regulations.

How should (3-Methylbutyl)boronic acid (CAS: 98139-72-1) be stored?

(3-Methylbutyl)boronic acid should be stored in a cool, dry place, away from heat and sources of ignition. It should be kept in a tightly sealed container to prevent moisture absorption. The storage area should be well-ventilated to avoid the accumulation of flammable vapors.