5-Bromo-1,3-benzodioxole

Basic Information

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CAS Number

2635-13-4

Molecular Formula

C7H5BrO2

Molecular Weight

201.02 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

85-86 °C/1 mmHg

Refractive Index

n20/D 1.583(lit.)

SMILES

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C1OC2=C(O1)C=C(C=C2)Br

InChI

InChI=1S/C7H5BrO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4H2

InChIKey

FBOYMIDCHINJKC-UHFFFAOYSA-N

LogP

2.1777999999999995

Topological Polar Surface Area

18.46 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

129

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

Sensitiveness

Sensitive to light

Synonyms & References

English

1,3-Benzodioxole, 5-bromo-
(3,4-methylenedioxy)phenyl bromide
A23758
5-bromo-1,3-dioxaindane
1-Bromo-3,4-(methylenedioxy)benzene, 97%
5-bromo-2H-1,3-benzodioxole
HY-75212
4-Bromo-1,2-Methylenedioxybenzene
4-bromo-1,2-(methylendioxy)benzene
InChI=1/C7H5BrO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4H
5-Bromobenzo[d][1,3]dioxole
5-bromo-1,3-benzodioxol
3,4-methylenedioxy-1-bromobenzene
5-brom-1,3-benzodioxole
3,4-methylenedioxy-bromobenzene
AC-16756
3,4-(Methylenedioxy)bromobenzene 5-Bromo-1,3-benzodioxole
4-Bromo-1,2-(methylenedioxy)-benzene
5-bromobenzo[d][1,3]dioxole;1-Bromo-3,4-(methylenedioxy)benzene
5-bromo-benzo[1,3]dioxol
5-BROMO-BENZO[1,3]DIOXOLE
SY008883
AKOS003612231
FS-1049
W-107176
5-Bromobenzo-1,3-dioxole
MFCD00005821
NS00028091
4-bromo-1,2(methylendioxy)benzene
B1230
6-bromo-1,3-benzodioxol

MDL Number

MFCD00005821

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 5-Bromo-1,3-benzodioxole (CAS: 2635-13-4)?

5-Bromo-1,3-benzodioxole (CAS: 2635-13-4) is a crystalline compound with a molecular weight of approximately 212.01 g/mol. It has a low solubility in water but is more soluble in organic solvents like dichloromethane and acetone. The compound is relatively stable but can react with strong bases and oxidizing agents. This compound is often used as a precursor in organic synthesis and as a reagent in various chemical reactions.

How is 5-Bromo-1,3-benzodioxole (CAS: 2635-13-4) typically synthesized?

5-Bromo-1,3-benzodioxole can be synthesized via bromination of 1,3-benzodioxole using bromine in the presence of a catalyst such as N-phenyl-N'-(p-toluenesulfonyl)urea (PTSU). The reaction is typically carried out under anhydrous conditions, and the yield can be improved by careful control of the reaction conditions and the use of appropriate solvents. This method provides a high degree of selectivity and good yield.

What industries use 5-Bromo-1,3-benzodioxole (CAS: 2635-13-4)?

5-Bromo-1,3-benzodioxole (CAS: 2635-13-4) is primarily used in the pharmaceutical and chemical industries. It serves as a key intermediate in the synthesis of various pharmaceutical compounds and is also used in the production of certain dyes and pigments. Its reactivity in organic chemistry makes it particularly valuable in the development of new materials and sensors.

What precautions should be taken when handling 5-Bromo-1,3-benzodioxole (CAS: 2635-13-4)?

When handling 5-Bromo-1,3-benzodioxole (CAS: 2635-13-4), it is important to use proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize exposure to the vapor. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be ventilated thoroughly. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.