7-Bromo-3,4-dihydroisoquinolin-1(2H)-one

Basic Information

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CAS Number

891782-60-8

Molecular Formula

C9H8BrNO

Molecular Weight

226.07 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

438.4°C at 760 mmHg

Density

1.559±0.06 g/cm3 (20 ºC 760 Torr)

SMILES

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C1CNC(=O)C2=C1C=CC(=C2)Br

InChI

InChI=1S/C9H8BrNO/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-2,5H,3-4H2,(H,11,12)

InChIKey

DRDDOAWCDDBYHZ-UHFFFAOYSA-N

LogP

1.7349999999999999

Topological Polar Surface Area

29.1 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

195

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

7-Bromo-3,4-dihydro-2H-isoquinolin-1-one
7-Bromo-3,4-dihydroisoquinolin-1(2H)-one
1(2H)-Isoquinolinone,7-bromo-3,4-dihydro-
7-bromo-1,2,3,4-tetrahydroisoquinolin-1-one
7-bromo-3,4-dihydro-1(2H)-isoquinolinone
DRDDOAWCDDBYHZ-UHFFFAOYSA-N
BDBM50126165
AB45191
SY024204
AB1010387
AB0027381
ST2412506
W9209
AM20041346
1(2H)-Isoquinolinone,7-bromo-3,4-
7-Bromo-3,4-dihydro-1(2H)-isoquinolinone (ACI)
MFCD08437642
SCHEMBL123731
Z1209452761
AKOS013546646
J-519124
EN300-109389
891782-60-8
DB-078314
DTXSID10648634
CHEMBL3629673
7-BROMO-3,4-DIHYDRO-1(2H)-ISOQUINOLINONE
7-Bromo-3,4-dihydro-2H-isoquinolin-1-one, AldrichCPR
AC-28296
FS-3440
CS-D0454

MDL Number

MFCD08437642

Customs Code

2933790090

FAQ

What are the physical and chemical properties of 7-Bromo-3,4-dihydroisoquinolin-1(2H)-one (CAS: 891782-60-8)?

7-Bromo-3,4-dihydroisoquinolin-1(2H)-one (CAS: 891782-60-8) is a white to off-white crystalline solid. Its molecular weight is approximately 227.04 g/mol. The compound is slightly soluble in water but soluble in organic solvents such as methanol, ethanol, and acetone. It exhibits moderate reactivity, particularly with nucleophiles and reducing agents.

How is 7-Bromo-3,4-dihydroisoquinolin-1(2H)-one (CAS: 891782-60-8) typically synthesized?

7-Bromo-3,4-dihydroisoquinolin-1(2H)-one can be synthesized via bromination of 3,4-dihydroisoquinolin-1(2H)-one. Commonly, this involves the use of N-bromosuccinimide (NBS) in the presence of a suitable organic solvent like acetonitrile. The reaction typically yields a mixture that requires purification by column chromatography or recrystallization.

What industries use 7-Bromo-3,4-dihydroisoquinolin-1(2H)-one (CAS: 891782-60-8)?

7-Bromo-3,4-dihydroisoquinolin-1(2H)-one (CAS: 891782-60-8) is primarily used in pharmaceuticals for the development of bioactive compounds. It also finds applications in the chemical industry for the synthesis of other valuable compounds and in the research of new materials for sensors and semiconductors.

What precautions should be taken when handling 7-Bromo-3,4-dihydroisoquinolin-1(2H)-one (CAS: 891782-60-8)?

When handling 7-Bromo-3,4-dihydroisoquinolin-1(2H)-one (CAS: 891782-60-8), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be contained and cleaned up using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for specific handling and disposal instructions.