4-Bromo-1,3-benzodioxole

Basic Information

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CAS Number

6698-13-1

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

82-83℃(p=0.6 torr)

SMILES

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

InChI

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

InChIKey

VZPMQHSDFWAZHP-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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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

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

Synonyms & References

English

Z1269207841
VZPMQHSDFWAZHP-UHFFFAOYSA-N
A835600
4-bromo-1,3-benzodioxole
AMY40617
6698-13-1
SCHEMBL263096
4-bromo-2H-1,3-benzodioxole
4-BROMOBENZO[D][1,3]DIOXOLE
SY021228
FS-3254
DTXSID10379875
MFCD02681890
4-Bromo-1,3-dioxaindane
4-Bromo-benzo[1,3]dioxole
1,3-benzodioxol-4-yl bromide
4-bromo-1,3-benzodioxol
2,3-Methylenedioxy-bromobenzene
AKOS015900041
AC-26518
J-514532
PB47509
FT-0617699
CS-W022086
EN300-251346
methylene dioxy bromo-benzene
1,3-Benzodioxole, 4-bromo-
4-Bromo-1,3-benzodioxole
1,3-Benzodioxole,4-bromo-
4-bromanyl-1,3-benzodioxole
4-bromo-2H-benzo[d]1,3-dioxolene

MDL Number

MFCD02681890

Customs Code

2932999099

FAQ

What is 4-Bromo-1,3-benzodioxole (CAS: 6698-13-1)?

4-Bromo-1,3-benzodioxole (CAS: 6698-13-1) is an organic compound with a molecular formula of C7H5BrO2. It is a colorless to slightly yellow liquid with a bromine odor. This compound is used in pharmaceuticals, dyes, and as an intermediate in the synthesis of other organic compounds.

What are the main uses of 4-Bromo-1,3-benzodioxole (CAS: 6698-13-1)?

4-Bromo-1,3-benzodioxole (CAS: 6698-13-1) is mainly used in the pharmaceutical industry as a precursor for the synthesis of drugs, in the dye industry for its coloring properties, and as a chemical intermediate for the production of various organic compounds.

Is 4-Bromo-1,3-benzodioxole (CAS: 6698-13-1) safe?

4-Bromo-1,3-benzodioxole (CAS: 6698-13-1) is generally safe when handled properly. However, it should be used with caution due to its potential for skin and eye irritation. Proper protective measures such as gloves and goggles are recommended. It is not toxic by ingestion but should not be ingested.

How should 4-Bromo-1,3-benzodioxole (CAS: 6698-13-1) be stored?

4-Bromo-1,3-benzodioxole (CAS: 6698-13-1) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent evaporation and contamination. Avoid contact with water and strong oxidizing agents.