5-Bromo-1,3-benzothiazole

Basic Information

View in Editor

CAS Number

768-11-6

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

105-110 °C

Boiling Point

291.5°C at 760 mmHg

Density

1.748

Flash Point

130.1°C

Refractive Index

1.718

SMILES

View in Editor

C1=CC2=C(C=C1Br)N=CS2

InChI

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

InChIKey

KFDDRUWQFQJGNL-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

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

Synonyms & References

English

MFCD03001442
5-bromobenzothiazole, 97%
DTXSID40394152
A838838
5-bromo-1,3-benzothiazole
Z1269222968
KFDDRUWQFQJGNL-UHFFFAOYSA-N
SCHEMBL858270
5-bromobenzothiazole, AldrichCPR
CS-W004741
FT-0647650
AKOS015834697
AB12828
SY025301
5-BROMOBENZO[D]THIAZOLE
5-bromobenzothiazole
J-517159
5-bromo-benzothiazole
5-bromanyl-1,3-benzothiazole
EN300-122403
768-11-6
AMY23911
FS-2969
Benzothiazole, 5-bromo-
5-Bromobenzothiazole
5-bromobenzo[d]thiazole
PubChem21859
FCH1334605
RP26799
BC004680
OR015035

MDL Number

MFCD03001442

Customs Code

2934999090

FAQ

What regulatory guidelines apply to 5-Bromo-1,3-benzothiazole (CAS: 768-11-6)?

5-Bromo-1,3-benzothiazole (CAS: 768-11-6) should comply with the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations in the European Union, and FDA/EPA guidelines in the United States. Specific safety data sheets (SDS) and hazard communication should be prepared according to these standards. Additionally, waste management must adhere to local and international environmental protection laws.

Are there alternatives to 5-Bromo-1,3-benzothiazole (CAS: 768-11-6) in synthesis?

Alternatives to 5-Bromo-1,3-benzothiazole (CAS: 768-11-6) in synthesis include other substituted benzothiazoles, such as 5-chloro-1,3-benzothiazole or 5-methyl-1,3-benzothiazole. These can be used as substitutes depending on the specific reaction conditions and desired properties. Common alternative reagents include bromine or other halogenating agents, which can be used to synthesize similar compounds.

What is the market or research trend for 5-Bromo-1,3-benzothiazole (CAS: 768-11-6)?

The market for 5-Bromo-1,3-benzothiazole (CAS: 768-11-6) is influenced by its applications in pharmaceuticals, agrochemicals, and organic synthesis. Research trends include the exploration of its use in antifungal and antibacterial drugs, as well as its role in developing new pesticide formulations. Market demand is expected to grow with advancements in these fields, driven by increasing research and development activities.

How should waste containing 5-Bromo-1,3-benzothiazole (CAS: 768-11-6) be handled?

Waste containing 5-Bromo-1,3-benzothiazole (CAS: 768-11-6) should be collected in appropriate containers and stored separately. Proper incineration or professional waste disposal services are recommended for safe disposal. Environmental protection precautions include ensuring no direct release into the environment and following local waste management regulations. Hazardous waste management guidelines should be strictly adhered to, and safety measures should be in place throughout the handling process.