Isopropylboronic acid

Basic Information

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CAS Number

80041-89-0

Molecular Formula

C3H9BO2

Molecular Weight

87.91 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

115°C

Boiling Point

160.4℃ at 760 mmHg

Density

0.921

Water Solubility

Soluble in water.

Flash Point

50.8℃

Refractive Index

1.385

SMILES

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

InChI

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

InChIKey

QIPHSSYCQCBJAX-UHFFFAOYSA-N

LogP

-0.13080000000000003

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

35.8

Safety Information

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GHS Hazard Pictograms

H301

H315

H319

H335

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

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

Sensitiveness

Hygroscopic

Synonyms & References

English

(1-Methylethyl)boronic acid
AB08847
isopropylboric acid
EN300-74363
Isopropylboronicacid
I0787
CS-W004088
Boronic acid, B-(1-methylethyl)-
AM1192
SY006229
propan-2-ylboronic acid
GS-6619
A839820
AKOS005146521
DTXSID90370481
FT-0647396
2-Propaneboronic acid
BCP21922
80041-89-0
MFCD01319021
Boronic acid, (1-methylethyl)-
(Propan-2-yl)boronic acid
Isopropylboronic acid
Isopropylboronic Acid (contains varying amounts of Anhydride)
1-Methylpyrazole-4-boronic acid pinacol ester
Propylboronic acid
2-Propaneboronicacid (6CI)
Boronic acid, (1-methylethyl)- (9CI)
Boronic acid,B-(1-methylethyl)-
PubChem7987
Isopropyl boronic acid

MDL Number

MFCD01319021

Customs Code

2931900090

FAQ

What is Isopropylboronic acid (CAS: 80041-89-0)?

Isopropylboronic acid, with the CAS number 80041-89-0, is an organic compound containing a boronic acid group attached to an isopropyl moiety. Its chemical formula is C3H8BO2. It is a colorless liquid with a slight odor, typically used in chemical synthesis due to its reactivity and functional group versatility.

What are the main uses of Isopropylboronic acid (CAS: 80041-89-0)?

Isopropylboronic acid is primarily used in pharmaceuticals as a precursor for drug synthesis, in the production of borate esters, and in organic chemistry for coupling reactions. It also finds applications in industrial processes and research involving boron-based compounds and functional group transformations.

Is Isopropylboronic acid (CAS: 80041-89-0) safe?

Isopropylboronic acid is generally considered safe when handled properly, but it may cause skin and eye irritation. Protective measures such as gloves, goggles, and a well-ventilated environment are recommended. It should be stored away from incompatible materials and handled according to standard chemical safety protocols.

How should Isopropylboronic acid (CAS: 80041-89-0) be stored?

Isopropylboronic acid should be stored in a cool, dry place, away from light and moisture. It is best kept in a sealed, airtight container at a temperature below 25°C. Avoid exposure to air and incompatible substances to ensure stability and safety.