(2-Isopropylphenyl)boronic acid

Basic Information

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CAS Number

89787-12-2

Molecular Formula

C9H13BO2

Molecular Weight

164.01 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

85-86°C

SMILES

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B(C1=CC=CC=C1C(C)C)(O)O

InChI

InChI=1S/C9H13BO2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7,11-12H,1-2H3

InChIKey

KTZUVUWIBZMHMC-UHFFFAOYSA-N

LogP

0.48979999999999985

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

137

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

SCHEMBL21270
KTZUVUWIBZMHMC-UHFFFAOYSA-N
2-Isopropylphenylboronic acid
2-IsopropylphenylboronicAcid
EN300-107504
C9H13BO2
AM804517
SY026620
2-Isopropylphebylboronic acid
AKOS000285063
(2-Isopropylphenyl)Boronic acid
MFCD03411937
DTXSID10378484
2-isopropyl phenylboronic acid
CS-W003050
A843312
AB14291
2-isopropylbenzene boronic acid
BORONIC ACID, [2-(1-METHYLETHYL)PHENYL]-
J-509751
[2-(PROPAN-2-YL)PHENYL]BORONIC ACID
(2-propan-2-ylphenyl)boronic Acid
HY-W003050
Z381540944
2-Isopropylbenzeneboronic acid
2-isopropylphenyl boronic acid
89787-12-2
FT-0601802
GS-6638
2-Isopropylphenylboronic acid, AldrichCPR
2-Isopropylphenyboronic acid

MDL Number

MFCD03411937

Customs Code

2931900090

FAQ

What are the physical and chemical properties of (2-Isopropylphenyl)boronic acid (CAS: 89787-12-2)?

(2-Isopropylphenyl)boronic acid (CAS: 89787-12-2) is a white crystalline solid with a molecular weight of approximately 221.28 g/mol. It is slightly soluble in water but soluble in organic solvents like dichloromethane and acetonitrile. This compound is less reactive compared to other boronic acids and is known for its stability under typical synthetic conditions. It has good solubility in polar organic solvents, which makes it useful in various chemical reactions.

How is (2-Isopropylphenyl)boronic acid (CAS: 89787-12-2) typically synthesized?

(2-Isopropylphenyl)boronic acid (CAS: 89787-12-2) can be synthesized via the reduction of 2-isopropylphenyl boronic ester with a suitable reducing agent such as sodium borohydride. The reaction typically occurs in a polar aprotic solvent like tetrahydrofuran (THF) under neutral conditions. The yield is usually high, and the method is selective, making it a reliable approach for the preparation of this compound.

What industries use (2-Isopropylphenyl)boronic acid (CAS: 89787-12-2)?

(2-Isopropylphenyl)boronic acid (CAS: 89787-12-2) finds applications in pharmaceuticals for the synthesis of bioactive compounds, in the polymer industry for the modification of polymer properties, and in the development of chemical sensors. It also plays a role in the production of materials for electronic devices such as semiconductors. Its unique properties make it valuable in these diverse fields.

What precautions should be taken when handling (2-Isopropylphenyl)boronic acid (CAS: 89787-12-2)?

When handling (2-Isopropylphenyl)boronic acid (CAS: 89787-12-2), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to prevent inhalation of dust. Spills should be cleaned up using appropriate absorbents and disposed of according to local regulations. Always refer to the safety data sheet (SDS) for detailed handling and emergency procedures.