5-Fluoro-2-methyl-1,3-benzothiazole

Basic Information

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CAS Number

399-75-7

Molecular Formula

C8H6FNS

Molecular Weight

167.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

112°C/6.8mmHg

Refractive Index

n20/D 1.584(lit.)

SMILES

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CC1=NC2=C(S1)C=CC(=C2)F

InChI

InChI=1S/C8H6FNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3

InChIKey

LDBFGRGBYVULTJ-UHFFFAOYSA-N

LogP

2.7438200000000013

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

153

Safety Information

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GHS Hazard Pictograms

H227

Hazard Statement

H227 Combustible liquid
Flammable liquids

Synonyms & References

English

F0316
5-Fluoro-2-methylbenzothiazole
2-Methyl-5-fluorobenzothiazole
399-75-7
CS-0317892
Benzothiazole, 5-fluoro-2-methyl-
FT-0620400
DTXSID50344502
F14941
A824830
CHEMBL3092380
SCHEMBL1319670
InChI=1/C8H6FNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H
AS-61369
5-Fluoro-2-methylbenzo[d]thiazole
MFCD00135018
5-Fluoro-2-methyl-1,3-benzothiazole
AKOS015853223
5-Fluoro-2-methyl-benzothiazole
5-Fluoro-2-methyl-1,3-benzothiazole #
SY050872
5-Fluoro-2-methylbenzothiazole, 97%
2-METHYL-5-FLUOROBENZOTHIAZOLE
Benzothiazole, 5-fluoro-2-methyl- (7CI,8CI,9CI)
5-fluoro-2-methyl-1,3-benzothiazole
Benzothiazole,5-fluoro-2-methyl-
LDBFGRGBYVULTJ-UHFFFAOYSA-N
zlchem 860
PubChem21824
ZLD0321
SBB088093

MDL Number

MFCD00135018

Customs Code

2934200090

FAQ

What regulatory guidelines apply to 5-Fluoro-2-methyl-1,3-benzothiazole (CAS: 399-75-7)?

5-Fluoro-2-methyl-1,3-benzothiazole (CAS: 399-75-7) falls under the scope of the REACH regulations in the European Union, which require registration, authorization, and compliance with health and safety standards. Additionally, it is classified under GHS (Global Harmonized System of Classification and Labeling of Chemicals), where it is categorized as a substance of very high concern due to its potential carcinogenicity. In the USA, it may be subject to FDA regulations for specific applications and the EPA for environmental protection measures.

Are there alternatives to 5-Fluoro-2-methyl-1,3-benzothiazole (CAS: 399-75-7) in synthesis?

For synthesizing similar functionalities, alternative reagents such as 5-chloro-2-methyl-1,3-benzothiazole or 5-iodo-2-methyl-1,3-benzothiazole can be considered. These alternatives offer different reactivity profiles and can be used as substitutes depending on the reaction conditions and desired outcome. It is important to evaluate the availability, cost, and environmental impact of these reagents before selecting an alternative.

What is the market or research trend for 5-Fluoro-2-methyl-1,3-benzothiazole (CAS: 399-75-7)?

The market for 5-Fluoro-2-methyl-1,3-benzothiazole (CAS: 399-75-7) is driven by its use in pharmaceuticals, particularly in the development of antiviral and anticancer agents. Research trends focus on its potential as a lead compound in drug discovery and optimization. Recent studies also explore its role in materials science for its unique properties, such as its antioxidant and anti-inflammatory activities. However, due to its classification as a substance of very high concern, there is increasing scrutiny on its use and environmental impact.

How should waste containing 5-Fluoro-2-methyl-1,3-benzothiazole (CAS: 399-75-7) be handled?

Waste containing 5-Fluoro-2-methyl-1,3-benzothiazole (CAS: 399-75-7) should be collected in appropriate containers and disposed of according to the local regulations. It is recommended to incinerate the waste at a licensed facility due to its potential toxicity and carcinogenicity. Precautions should be taken to prevent environmental contamination, and procedures should comply with REACH and local environmental protection laws. Regular monitoring of the waste disposal process is essential to ensure compliance and minimize environmental impact.