6-Bromo-8-fluoro-3,4-dihydroisoquinolin-1(2H)-one

Basic Information

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CAS Number

1242157-15-8

Molecular Formula

C9H7BrFNO

Molecular Weight

244.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1CNC(=O)C2=C1C=C(C=C2F)Br

InChI

InChI=1S/C9H7BrFNO/c10-6-3-5-1-2-12-9(13)8(5)7(11)4-6/h3-4H,1-2H2,(H,12,13)

InChIKey

QNEGTSCEMNYFFK-UHFFFAOYSA-N

LogP

1.8740999999999997

Topological Polar Surface Area

29.1 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

224

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

6-Bromo-8-fluoro-3,4-dihydroisoquinolin-1(2H)-one
6-bromo-8-fluoro-3,4-dihydro-2H-isoquinolin-1-one
CS-0146226
SY019124
DB-207672
AKOS022185810
SCHEMBL1725137
MFCD22381969
6-Bromo-8-fluoro-3,4-dihydro-1(2H)-isoquinolinone
AS-43437
1242157-15-8
A921562
DTXSID601232688
QNEGTSCEMNYFFK-UHFFFAOYSA-N

MDL Number

MFCD22381969

FAQ

What is 6-Bromo-8-fluoro-3,4-dihydroisoquinolin-1(2H)-one (CAS: 1242157-15-8)?

6-Bromo-8-fluoro-3,4-dihydroisoquinolin-1(2H)-one (CAS: 1242157-15-8) is a yellow solid with a molecular formula of C12H10BrFNO2. It is soluble in organic solvents and has a pungent odor. This compound is primarily used in pharmaceutical research and as a chemical intermediate.

What are the main uses of 6-Bromo-8-fluoro-3,4-dihydroisoquinolin-1(2H)-one (CAS: 1242157-15-8)?

The main uses of 6-Bromo-8-fluoro-3,4-dihydroisoquinolin-1(2H)-one (CAS: 1242157-15-8) include drug discovery and development in pharmaceutical companies, as well as in the synthesis of other organic compounds. It serves as a valuable intermediate in organic synthesis and medicinal chemistry.

Is 6-Bromo-8-fluoro-3,4-dihydroisoquinolin-1(2H)-one (CAS: 1242157-15-8) safe?

6-Bromo-8-fluoro-3,4-dihydroisoquinolin-1(2H)-one (CAS: 1242157-15-8) is generally safe for laboratory use when handled with appropriate precautions. It is important to wear protective gloves and eye protection when working with this compound. It is not classified as toxic, but direct contact or inhalation of fumes should be avoided.

How should 6-Bromo-8-fluoro-3,4-dihydroisoquinolin-1(2H)-one (CAS: 1242157-15-8) be stored?

6-Bromo-8-fluoro-3,4-dihydroisoquinolin-1(2H)-one (CAS: 1242157-15-8) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a well-sealed container to prevent moisture absorption. The storage temperature should be maintained between 10-25°C to ensure its stability and safety.