4-Bromo-2,1,3-benzothiadiazole

Basic Information

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CAS Number

22034-13-5

Molecular Formula

C6H3BrN2S

Molecular Weight

215.08 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

80 °C

Boiling Point

272.2°C at 760 mmHg

SMILES

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C1=CC2=NSN=C2C(=C1)Br

InChI

InChI=1S/C6H3BrN2S/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H

InChIKey

KYKBVPGDKGABHY-UHFFFAOYSA-N

LogP

2.4538

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

133

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

FT-0617726
KYKBVPGDKGABHY-UHFFFAOYSA-N
3-(4-bromophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one;4-Bromobenzo[c][1,2,5]thiadiazole
SCHEMBL432155
TS-03068
YSZC564
BCP31286
22034-13-5
4-Bromo-2,1,3-benzothiadiazole
4-Bromo-benzo[1,2,5]thiadiazole
F1918-0061
MFCD00614355
CS-W018450
W-206716
4-Bromobenzo[c][1,2,5]thiadiazole
DTXSID10353039
EN300-49445
CHEMBL2409294
I11156
AKOS000271198
SY037893
A815854
4-bromo-benz-2,1,3-thiadiazole
PD148329
4-bromo-2,1,3-benzothiadiazole, AldrichCPR
Z367452128
2,1,3-Benzothiadiazole,4-bromo-
4-BROMO-2,1,3-BENZOTHIADIAZOLE
4-BROMO-2,1,3-BENZOTHIAZOLE
4-bromobenzo[2,1,3]thiadiazole
4-bromobenzo<1,2,5>thiadiazole

MDL Number

MFCD00614355

Customs Code

2934999090

FAQ

What regulatory guidelines apply to 4-Bromo-2,1,3-benzothiadiazole (CAS: 22034-13-5)?

4-Bromo-2,1,3-benzothiadiazole (CAS: 22034-13-5) is subject to regulations such as REACH (Registration, Evaluation, Authorization, and Restriction of Chemicals) in the European Union, which requires suppliers to register and provide safety data sheets (SDS). It is also subject to GHS (Globally Harmonized System of Classification and Labeling of Chemicals) classification for hazardous properties, and may be regulated by the EPA and FDA in the United States for specific applications.

Are there alternatives to 4-Bromo-2,1,3-benzothiadiazole (CAS: 22034-13-5) in synthesis?

For synthesis purposes, alternatives to 4-Bromo-2,1,3-benzothiadiazole (CAS: 22034-13-5) include other substituted benzothiadiazoles or analogs like 2,1,3-benzothiadiazole-4-carbaldehyde, which can serve similar functional groups in organic synthesis. Other reagents such as bromoacetic acid can be used as a starting material for related compounds.

What is the market or research trend for 4-Bromo-2,1,3-benzothiadiazole (CAS: 22034-13-5)?

The market for 4-Bromo-2,1,3-benzothiadiazole (CAS: 22034-13-5) is driven by its use in pharmaceuticals and materials science. Research trends focus on its application in antimicrobial agents and as a precursor in the synthesis of other compounds. Market trends show increasing demand, particularly in the pharmaceutical industry due to its broad spectrum of antimicrobial activity.

How should waste containing 4-Bromo-2,1,3-benzothiadiazole (CAS: 22034-13-5) be handled?

Waste containing 4-Bromo-2,1,3-benzothiadiazole (CAS: 22034-13-5) should be collected in appropriate containers and stored under conditions that prevent spillage and exposure. Professional waste disposal services should be utilized for incineration or other safe destruction methods. Environmental protection measures include ensuring that waste does not enter water systems and that disposal follows local and international regulations.