4-(Propoxycarbonyl)phenylboronic acid

Basic Information

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CAS Number

91062-38-3

Molecular Formula

C10H13BO4

Molecular Weight

208.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

108-112

SMILES

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

InChI

InChI=1S/C10H13BO4/c1-2-7-15-10(12)8-3-5-9(6-4-8)11(13)14/h3-6,13-14H,2,7H2,1H3

InChIKey

XJEONFAJOXSZDX-UHFFFAOYSA-N

LogP

-0.06679999999999997

Topological Polar Surface Area

66.76 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

200

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4-(Propoxycarbonyl)phenylboronic acid
4-(n-Propoxycarbonyl)benzeneboronic acid
4-Propoxycarbonylphenylboronic acid
(4-propoxycarbonylphenyl)boronic acid
Propyl 4-boronobenzoate
(4-Propoxycarbonylphenyl)boronic acid
[4-(Propoxycarbonyl)phenyl]boronic acid
D71300
91062-38-3
(4-Propoxycarbonyl)phenylboronic acid(contains varying amounts of Anhydride)
MFCD06659852
DB-010639
(4-Propoxycarbonyl)phenylboronic acid
AS-2378
AKOS004113802
(4-(Propoxycarbonyl)phenyl)boronic acid
4-(Propoxycarbonyl)phenylboronicacid
DTXSID40629638
AB26473
[4-(propoxycarbonyl)phenyl]boronic acid
4-(propoxycarbonyl)phenylboronic acid
CS-0175954
(4-n-Propoxycarbonyl)benzeneboronic acid

MDL Number

MFCD06659852

Customs Code

2931900090

FAQ

What is 4-(Propoxycarbonyl)phenylboronic acid (CAS: 91062-38-3)?

4-(Propoxycarbonyl)phenylboronic acid is an organic compound with the CAS number 91062-38-3. It is a boronic acid derivative with a propoxycarbonyl group attached to a phenyl ring. This compound is commonly used in chemical synthesis, particularly in the field of medicinal chemistry and organic synthesis.

What are the main uses of 4-(Propoxycarbonyl)phenylboronic acid (CAS: 91062-38-3)?

4-(Propoxycarbonyl)phenylboronic acid is primarily used in pharmaceutical and chemical research for its reactivity in Suzuki couplings and other cross-coupling reactions. It is also used in synthesis of drug candidates and other organic compounds.

Is 4-(Propoxycarbonyl)phenylboronic acid (CAS: 91062-38-3) safe?

4-(Propoxycarbonyl)phenylboronic acid is generally safe when handled with appropriate precautions. It is important to avoid contact with skin and eyes, and to handle it in a fume hood. Proper ventilation and appropriate personal protective equipment (PPE) should be used during handling.

How should 4-(Propoxycarbonyl)phenylboronic acid (CAS: 91062-38-3) be stored?

4-(Propoxycarbonyl)phenylboronic acid should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly closed container to prevent moisture absorption. Optimal storage conditions include a temperature range of 15-25°C (59-77°F) and a relative humidity below 50%.