2-(5-Bromo-2-fluorobenzyl)-1-benzothiophene

Basic Information

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CAS Number

1034305-17-3

Molecular Formula

C15H10BrFS

Molecular Weight

321.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

408.9±35.0°C at 760 mmHg

Solubility

Insuluble (1.00E-3 g/L) (25 ºC),

SMILES

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Brc1ccc(c(c1)Cc1cc2c(s1)cccc2)F

InChI

InChI=1S/C15H10BrFS/c16-12-5-6-14(17)11(7-12)9-13-8-10-3-1-2-4-15(10)18-13/h1-8H,9H2

InChIKey

IKGTVOQAJKYBGO-UHFFFAOYSA-N

LogP

5.393700000000003

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

286

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

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

Synonyms & References

English

2-(5-Bromo-2-fluorobenzyl)benzothiophene
Benzo[b]thiophene, 2-[(5-broMo-2-fluorophenyl)Methyl]-
2-(5-BroMo-2-fluorobenzyl)benzo[b]thiophene
2-[(5-bromo-2-fluorophenyl)Methyl]-Benzo[b]thiophene
2-(5-bromo-2-fluorobenzyl)-1-benzothiophene
2-[(5-bromo-2-fluorophenyl)methyl]-1-benzothiophene
Ipragliflozin impurity B (B4)
2-[(5-broMo-2-fluorophenyl)Methyl]-
Ipragliflozin intermediate 1
AK163796
C15H10BrFS
IKGTVOQAJKYBGO-UHFFFAOYSA-N
BCP12329
3115AH
EBD3313355
CM14392
BC600266
SY116155
AX82
benzo[b]thiophene, 2-[(5-bromo-2-
Benzo[b]thiophene,2-[(5-broMo-2-fluorophenyl)Methyl]-

MDL Number

MFCD28144826

FAQ

What is 2-(5-Bromo-2-fluorobenzyl)-1-benzothiophene (CAS: 1034305-17-3)?

2-(5-Bromo-2-fluorobenzyl)-1-benzothiophene (CAS: 1034305-17-3) is an organic compound that contains a benzothiophene ring substituted with a 5-bromo-2-fluorobenzyl group. It is known for its potential applications in medicinal chemistry and has a molecular formula of C17H13BrFOS. This compound exhibits specific physical and chemical properties, including solubility in organic solvents and stability under certain conditions.

What are the main uses of 2-(5-Bromo-2-fluorobenzyl)-1-benzothiophene (CAS: 1034305-17-3)?

2-(5-Bromo-2-fluorobenzyl)-1-benzothiophene (CAS: 1034305-17-3) is primarily used in pharmaceutical research as a potential lead compound for drug development. It may also find applications in organic synthesis and as an intermediate in the production of various chemical derivatives. Its unique structure makes it relevant for studying biological activity and molecular interactions.

Is 2-(5-Bromo-2-fluorobenzyl)-1-benzothiophene (CAS: 1034305-17-3) safe?

The safety of 2-(5-Bromo-2-fluorobenzyl)-1-benzothiophene (CAS: 1034305-17-3) depends on its handling and exposure conditions. As a brominated and fluorinated compound, it may pose some toxicity risks, particularly to the skin, eyes, and respiratory system. Proper protective equipment, such as gloves and goggles, should be used when handling this compound. Safety data sheets (SDS) should be consulted for detailed guidelines.

How should 2-(5-Bromo-2-fluorobenzyl)-1-benzothiophene (CAS: 1034305-17-3) be stored?

2-(5-Bromo-2-fluorobenzyl)-1-benzothiophene (CAS: 1034305-17-3) should be stored in a cool, dry, and well-ventilated place, away from light and moisture. It is typically kept in a sealed container to prevent exposure to air. Storage conditions should maintain temperatures below 25°C and avoid humidity levels above 60% to ensure its stability and prolong shelf life.