5-Bromo-1,3-benzenedithiol

Basic Information

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CAS Number

1219501-75-3

Molecular Formula

C6H5BrS2

Molecular Weight

221.14 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

76.0 to 80.0 deg-C

SMILES

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C1=C(C=C(C=C1S)Br)S

InChI

InChI=1S/C6H5BrS2/c7-4-1-5(8)3-6(9)2-4/h1-3,8-9H

InChIKey

AHHCKAJHIBGSHJ-UHFFFAOYSA-N

LogP

3.0265000000000004

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

87.1

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

Synonyms & References

English

5-bromobenzene-1,3-dithiol
5-Bromo-1,3-benzenedithiol
SureCN1975035
CTK4B2900
ANW-17923
1-Bromo-3,5-dimercaptobenzene
AG-L-21234
KB-244728
ACMC-209aj9
B2655
DTXSID00659956
AKOS015834616
GEO-04125
AS-59429
CS-0316601
SCHEMBL1975035
MFCD08276291
1,3-Benzenedithiol, 5-bromo-
1219501-75-3
T70152

MDL Number

MFCD08276291

FAQ

What regulatory guidelines apply to 5-Bromo-1,3-benzenedithiol (CAS: 1219501-75-3)?

5-Bromo-1,3-benzenedithiol (CAS: 1219501-75-3) is subject to various regulatory guidelines including GHS classification, REACH regulations, and FDA/EPA related requirements. This compound is classified as a hazardous substance under GHS and must comply with the specific labeling and safety data sheet requirements. Under REACH, it is classified as a substance of very high concern (SVHC), requiring notification to the EU authority and possible restrictions. FDA/EPA regulations may apply based on the intended use, such as in pharmaceuticals or environmental studies.

Are there alternatives to 5-Bromo-1,3-benzenedithiol (CAS: 1219501-75-3) in synthesis?

There are several alternatives to 5-Bromo-1,3-benzenedithiol (CAS: 1219501-75-3) in synthesis. Common substitutes include 5-Chloro-1,3-benzenedithiol and 5-Iodo-1,3-benzenedithiol. These alternatives offer similar chemical properties and can be used as reagents in various synthetic pathways. It is important to consider the availability, cost, and specific requirements of the synthesis when selecting an alternative.

What is the market or research trend for 5-Bromo-1,3-benzenedithiol (CAS: 1219501-75-3)?

The market for 5-Bromo-1,3-benzenedithiol (CAS: 1219501-75-3) is driven by its applications in organic synthesis, particularly in the development of drugs and materials. Recent research trends focus on the use of this compound in polymer chemistry and as a precursor for the synthesis of complex molecules. The demand is expected to grow due to its unique reactivity and versatility in various chemical transformations. Market analysis suggests that this compound is in high demand in the academic and industrial sectors.

How should waste containing 5-Bromo-1,3-benzenedithiol (CAS: 1219501-75-3) be handled?

Waste containing 5-Bromo-1,3-benzenedithiol (CAS: 1219501-75-3) should be handled with care due to its hazardous properties. Collection should be done in a closed container and stored in a secure, labeled container. It is recommended to incinerate the waste or dispose of it through a professional waste disposal service that specializes in hazardous materials. Proper environmental precautions, such as wearing appropriate personal protective equipment, should be taken to prevent exposure and environmental contamination. Compliance with local regulations and guidelines is essential for safe waste management.