6-Bromo-1(2H)-isoquinolinone

Basic Information

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CAS Number

82827-09-6

Molecular Formula

C9H6BrNO

Molecular Weight

224.06 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

Boiling Point

442.6°C at 760 mmHg

SMILES

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Oc1nccc2cc(Br)ccc12

InChI

InChI=1S/C9H6BrNO/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-5H,(H,11,12)

InChIKey

ZDYXSEQHOVSTPA-UHFFFAOYSA-N

LogP

2.7029000000000005

Topological Polar Surface Area

33.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

6-Bromoisoquinolin-1(2H)-one
1(2H)-Isoquinolinone,6-bromo-
6-Bromo-2H-isoquinolin-1-one
6-bromo-2H-isoquinoline-1-one
6-BroMoisoquinolin-1-ol
6-Bromoisoquinolin-1-one
6-bromo-1,2-dihydro-1-oxoisoquinoline
6-bromoisoquinolinone
6-bromoisoquinolone
6-bromo-1,2-dihydroisoquinolin-1-one

MDL Number

MFCD07374394

Customs Code

2933790090

FAQ

What are the physical and chemical properties of 6-Bromo-1(2H)-isoquinolinone (CAS: 82827-09-6)?

6-Bromo-1(2H)-isoquinolinone is a crystalline solid with a molecular weight of approximately 225.03 g/mol. It has a solubility of about 0.01 g/100 mL in water and is soluble in organic solvents like ethanol and acetone. This compound is relatively stable but can react with strong bases. It is soluble in common organic solvents and has a melting point of around 195-197°C.

How is 6-Bromo-1(2H)-isoquinolinone (CAS: 82827-09-6) typically synthesized?

6-Bromo-1(2H)-isoquinolinone is typically synthesized via bromination of 1(2H)-isoquinolinone. Common methods include using bromine in an appropriate solvent or using N-bromosuccinimide (NBS) as a brominating agent. The reaction is carried out under anhydrous conditions to avoid side reactions. The yield is generally around 70-80%.

What industries use 6-Bromo-1(2H)-isoquinolinone (CAS: 82827-09-6)?

6-Bromo-1(2H)-isoquinolinone finds applications in the pharmaceutical industry as an intermediate for drug synthesis. It is also used in the polymer industry for the synthesis of polymers with specific properties. Additionally, it is used in the sensor industry for the development of chemical sensors and in the semiconductor industry for certain electronic applications.

What precautions should be taken when handling 6-Bromo-1(2H)-isoquinolinone (CAS: 82827-09-6)?

Proper personal protective equipment (PPE) is essential when handling 6-bromo-1(2H)-isoquinolinone, including gloves, goggles, and protective clothing. This compound should be handled in a well-ventilated area or a fume hood to avoid inhalation. In case of a spill, it should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.