4-(Bromomethyl)benzo[d][1,3]dioxole

Basic Information

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CAS Number

101417-40-7

Molecular Formula

C8H7BrO2

Molecular Weight

215.05 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

SMILES

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C1OC2=CC=CC(=C2O1)CBr

InChI

InChI=1S/C8H7BrO2/c9-4-6-2-1-3-7-8(6)11-5-10-7/h1-3H,4-5H2

InChIKey

NXSORIZRMNGQNL-UHFFFAOYSA-N

LogP

2.3102

Topological Polar Surface Area

18.46 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

140

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

4-(Bromomethyl)benzo[d][1,3]dioxole
4-(bromomethyl)-1,3-Benzodioxole
2,3-(Methylenedioxy)benzyl bromide
2,3-Methylendioxy-benzylbromid
2,3-methylenedioxybenzyl bromide
4-Brommethyl-benzo[1,3]dioxol
4-bromomethyl-1,3-benzodioxole
4-bromomethyl-benzo[1,3]dioxole
AK-76075
ANW-70654
CTK8C3843
KB-238863
SureCN2168952
NXSORIZRMNGQNL-UHFFFAOYSA-N
BCP25757
1,3-Benzodioxole, 4-(bromomethyl)-
4-(Bromomethyl)-2H-1,3-benzodioxole
FCH1615872
4-(Bromomethyl);benzo[d][1,3]dioxole
AB0052085
AX8220688
ST24023198
Z3805
101417-40-7
CS-W022008
A897172
DA-18921
DTXSID10626331
DS-16569
SCHEMBL2168952
MFCD21604251

MDL Number

MFCD21604251

FAQ

What are the physical and chemical properties of 4-(Bromomethyl)benzo[d][1,3]dioxole (CAS: 101417-40-7)?

4-(Bromomethyl)benzo[d][1,3]dioxole (CAS: 101417-40-7) is a crystalline solid with a molecular weight of approximately 288.01 g/mol. It has a low water solubility and is soluble in common organic solvents like dichloromethane and acetone. This compound is known for its reactivity towards nucleophiles, particularly those that can undergo substitution reactions at the bromomethyl group.

How is 4-(Bromomethyl)benzo[d][1,3]dioxole (CAS: 101417-40-7) typically synthesized?

4-(Bromomethyl)benzo[d][1,3]dioxole (CAS: 101417-40-7) is typically synthesized through a bromination reaction of 4-hydroxymethylbenzo[d][1,3]dioxole with hydrogen bromide in the presence of a Lewis acid catalyst, such as aluminum bromide (AlBr₃). The reaction is exothermic and requires careful control of temperature to achieve high yield and selectivity.

What industries use 4-(Bromomethyl)benzo[d][1,3]dioxole (CAS: 101417-40-7)?

4-(Bromomethyl)benzo[d][1,3]dioxole (CAS: 101417-40-7) is primarily used in the pharmaceutical and polymer industries for the synthesis of medicinal compounds and functional polymers. It can also be employed in the development of sensors and other applications requiring specific chemical functionalities.

What precautions should be taken when handling 4-(Bromomethyl)benzo[d][1,3]dioxole (CAS: 101417-40-7)?

When handling 4-(Bromomethyl)benzo[d][1,3]dioxole (CAS: 101417-40-7), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated fume hood to avoid inhalation. In case of spills, neutralize with sodium thiosulfate solution and dispose of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed safety information.