3,4-Methylenedioxyphenylboronic acid

Basic Information

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CAS Number

94839-07-3

Molecular Formula

C7H7BO4

Molecular Weight

165.94 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

224-229 °C

Boiling Point

347.3±52.0℃ at 760 mmHg

Density

1.423

Flash Point

163.867℃

SMILES

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B(C1=CC2=C(C=C1)OCO2)(O)O

InChI

InChI=1S/C7H7BO4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3,9-10H,4H2

InChIKey

CMHPUBKZZPSUIQ-UHFFFAOYSA-N

LogP

-0.9049000000000003

Topological Polar Surface Area

58.92 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

164

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

Benzo[d][1,3]dioxol-5-ylboronic acid
3,4-Methylenedioxyphenylboronic acid
3,4-(Methylenedioxy)benzeneboronic acid
1,3-Benzodioxole-5-boronic acid~3,4-(Methylenedioxy)phenylboronic acid
1,3-Benzodioxol-5-ylboronic acid
3,4-(Methylenedioxy)phenylboronic acid
3,4-(Methylenedioxy)phenylboronic Acid (contains varying amounts of Anhydride)
1,3-Benzodioxole-5-boronic acid
3,4
3,4-Methylenedioxybenzeneboronic acid
BORONIC ACID,B-1,3-BENZODIOXOL-5-YL-
Methylcyclopentadiene diMer
3,4-(Methylenedioxy)benzeneboronic Acid (contains varying amounts of Anhydride)
3,4-Methylenedioxyphenyl boronic acid
Boronic acid, 1,3-benzodioxol-5-yl-
(2H-1,3-BENZODIOXOL-5-YL)BORONIC ACID
5-benzo[d][1,3]dioxole boronic acid
(3,4-methylenedioxyphenyl)boronic acid
3,4-Methylenedioxyphenylboronic a
B-1,3-Benzodioxol-5-ylboronic acid (ACI)
Boronic acid, 1,3-benzodioxol-5-yl- (9CI)
(1,3-Benzodioxol-5-yl)boronic acid
(2H-1,3-Benzodioxol-5-yl)boronic acid
(Benzodioxol-5-yl)boronic acid
1,3-Benzodioxolan-5-ylboronic acid
(2H-1,3-benzodioxol-5-yl)boronic acid
BDBM50067897
DTXSID10370261
4-methylenedioxyphenylboronic acid
(3,4-methylenedioxyphenyl)-boronic acid
benzo[1,3]dioxol-5-yl-boronic acid

MDL Number

MFCD01009695

Customs Code

2932999099

FAQ

What is 3,4-Methylenedioxyphenylboronic acid (CAS: 94839-07-3)?

3,4-Methylenedioxyphenylboronic acid is a chemical compound with the formula C9H8B03. It is known for its aromatic properties and is used in various organic synthesis reactions. It features a boronic acid group attached to a 3,4-methylenedioxyphenyl moiety.

What are the main uses of 3,4-Methylenedioxyphenylboronic acid (CAS: 94839-07-3)?

3,4-Methylenedioxyphenylboronic acid is primarily used in organic synthesis, particularly in Suzuki-Miyaura couplings. It is also employed in the preparation of boronate esters and other boronic acid derivatives, facilitating reactions in pharmaceuticals and materials science.

Is 3,4-Methylenedioxyphenylboronic acid (CAS: 94839-07-3) safe?

3,4-Methylenedioxyphenylboronic acid is generally considered safe when handled properly. However, it should be used with gloves and in a well-ventilated area to avoid skin contact and inhalation. It is not toxic by ingestion, but ingestion is not recommended. Proper laboratory safety protocols should always be followed.

How should 3,4-Methylenedioxyphenylboronic acid (CAS: 94839-07-3) be stored?

3,4-Methylenedioxyphenylboronic acid should be stored in a cool, dry place away from direct sunlight and moisture. It should be kept in a tightly sealed container to prevent degradation. Optimal storage conditions are below 25°C and relative humidity below 60% to ensure stability and purity.