7-Bromo-1,3-benzothiazole

Basic Information

View in Editor

CAS Number

767-70-4

Molecular Formula

C7H4BrNS

Molecular Weight

214.09 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

82 ºC

Boiling Point

291.5±13.0 ºC (760 Torr),

Density

1.748±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

130.1±19.8 ºC,

SMILES

View in Editor

C1=CC2=C(C(=C1)Br)SC=N2

InChI

InChI=1S/C7H4BrNS/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H

InChIKey

HIHGDDIOQDNKSV-UHFFFAOYSA-N

LogP

3.0588000000000006

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

131

Safety Information

View Safety Information

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

BENZOTHIAZOLE, 7-BROMO-
A21766
Z1269130621
7-bromobenzothiazole
767-70-4
7-bromobenzo[d]thiazole
CS-D0222
HIHGDDIOQDNKSV-UHFFFAOYSA-N
SCHEMBL659126
MFCD11858589
FS-3403
7-BROMO-BENZOTHIAZOLE
SY033684
7-bromanyl-1,3-benzothiazole
A838823
DTXSID80467975
AKOS015920365
7-bromo-1,3-benzothiazole
EN300-258487
FT-0645587
AM85408
PB17880
7-Bromobenzothiazole
7-Bromobenzo[d]thiazole
Benzothiazole, 7-bromo-
7-Brombenzothiazol
BENZOTHIAZOLE,7-BROMO
Benzothiazole, 7-bromo- (7CI,8CI)
AMOT0047
ST2412513
W8350

MDL Number

MFCD11858589

Customs Code

2934200090

FAQ

What regulatory guidelines apply to 7-Bromo-1,3-benzothiazole (CAS: 767-70-4)?

7-Bromo-1,3-benzothiazole (CAS: 767-70-4) is subject to various regulatory guidelines. Under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), it is classified as a skin and eye irritant. In Europe, it is regulated under REACH (Registration, Evaluation, Authorization and Restriction of Chemicals), which requires manufacturers and importers to register the substance with the European Chemicals Agency (ECHA). Additionally, the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) have specific requirements for the use and disposal of this compound.

Are there alternatives to 7-Bromo-1,3-benzothiazole (CAS: 767-70-4) in synthesis?

There are several alternatives to 7-Bromo-1,3-benzothiazole (CAS: 767-70-4) that can be used in synthesis, depending on the desired properties. For instance, 7-Chloro-1,3-benzothiazole and 7-Iodo-1,3-benzothiazole are isomers that can serve similar roles. Other alternatives include 1,3-benzothiazole derivatives with different substituents, such as 7-ethyl, 7-methyl, or 7-phenyl groups. These alternatives can provide similar functional groups for various chemical reactions while offering different physical and chemical properties.

What is the market or research trend for 7-Bromo-1,3-benzothiazole (CAS: 767-70-4)?

The market for 7-Bromo-1,3-benzothiazole (CAS: 767-70-4) is primarily driven by its use in pharmaceuticals, agrochemicals, and as a precursor in organic synthesis. Recent research trends have focused on its application in drug discovery, particularly as a potential lead compound for treating diseases such as cancer and inflammatory conditions. Additionally, there is growing interest in its potential as an alternative to more toxic compounds in agricultural applications, leading to increased demand in the agricultural sector.

How should waste containing 7-Bromo-1,3-benzothiazole (CAS: 767-70-4) be handled?

Waste containing 7-Bromo-1,3-benzothiazole (CAS: 767-70-4) should be handled according to proper waste disposal protocols. Waste liquids should be collected in appropriate containers and stored separately to avoid contamination. For solid waste, it should be collected in sealed containers and disposed of through a certified hazardous waste disposal service. Incineration is an effective method for disposal, but it must be conducted in a manner that complies with local environmental regulations. It is important to ensure that all safety and environmental protection precautions are followed to minimize the risk of exposure and environmental impact.