6-Bromo-1,3-benzothiazole-2-carbonitrile

Basic Information

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CAS Number

741253-03-2

Molecular Formula

C8H3BrN2S

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

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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C1=CC2=C(C=C1Br)SC(=N2)C#N

InChI

InChI=1S/C8H3BrN2S/c9-5-1-2-6-7(3-5)12-8(4-10)11-6/h1-3H

InChIKey

LITDULGWAMMAPE-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

224

Synonyms & References

English

6-bromo-1,3-benzothiazole-2-carbonitrile
DTXSID20423757
2-Benzothiazolecarbonitrile, 6-bromo-
LITDULGWAMMAPE-UHFFFAOYSA-N
AS-77866
741253-03-2
6-BROMO-2-BENZOTHIAZOLECARBONITRILE
CS-0187195
SCHEMBL730573
FT-0708733
MFCD11217379
6-Bromobenzothiazole-2-carbonitrile
6-Bromobenzo[d]thiazole-2-carbonitrile
6-bromo-2-Benzothiazolecarbonitrile
AC1O50PG
AK-31155
ANW-61874
CTK8B9035
MolPort-022-287-036
SureCN730573

MDL Number

MFCD11217379

FAQ

What is 6-Bromo-1,3-benzothiazole-2-carbonitrile (CAS: 741253-03-2)?

6-Bromo-1,3-benzothiazole-2-carbonitrile is an organic compound with the CAS number 741253-03-2. It is a white or off-white solid with a molecular formula of C8H5BrN3S. This compound has a distinctive odor and is used in various applications such as pharmaceuticals, dyes, and research chemicals.

What are the main uses of 6-Bromo-1,3-benzothiazole-2-carbonitrile (CAS: 741253-03-2)?

6-Bromo-1,3-benzothiazole-2-carbonitrile is primarily used as an intermediate in the synthesis of pharmaceuticals, particularly in the development of antiviral and antifungal drugs. It is also used in the production of dyes and other chemical reagents in research settings.

Is 6-Bromo-1,3-benzothiazole-2-carbonitrile (CAS: 741253-03-2) safe?

Usage of 6-bromo-1,3-benzothiazole-2-carbonitrile (CAS: 741253-03-2) should be handled with caution. It is not considered hazardous under normal conditions but may cause skin irritation if it comes into contact with the skin. Proper handling and protective equipment such as gloves and safety goggles are recommended to minimize risks.

How should 6-Bromo-1,3-benzothiazole-2-carbonitrile (CAS: 741253-03-2) be stored?

6-Bromo-1,3-benzothiazole-2-carbonitrile should be stored in a cool, dry place away from direct sunlight. It should be kept in a tightly sealed container to prevent moisture absorption. The storage temperature should be maintained below 30°C (86°F) to ensure stability and safety of the compound.