4-Bromo-1-isoindolinone

Basic Information

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CAS Number

337536-15-9

Molecular Formula

C8H6BrNO

Molecular Weight

212.05 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

Physical State

Pale-yellow to Yellow-brown Solid

Melting Point

214-215°C

Boiling Point

449°C at 760 mmHg

SMILES

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C1C2=C(C=CC=C2Br)C(=O)N1

InChI

InChI=1S/C8H6BrNO/c9-7-3-1-2-5-6(7)4-10-8(5)11/h1-3H,4H2,(H,10,11)

InChIKey

TYRICULVJRGSTL-UHFFFAOYSA-N

LogP

1.6924999999999997

Topological Polar Surface Area

29.1 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

183

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

TYRICULVJRGSTL-UHFFFAOYSA-N
SCHEMBL1333810
4-BROMO-1-ISOINDOLINONE
AC-28868
CHEMBL1984500
4-bromo-2,3-dihydro-1H-isoindol-1-one
4-bromo-2,3-dihydroisoindol-1-on
2-acetyl-nicotinic acid
AKOS015835485
Kinome_1177
4-bromo-2,3-dihydroisoindol-1-one
A5992
SS-6032
CS-W018932
DTXSID00619878
BCP27467
J-514820
1H-Isoindol-1-one, 4-bromo-2,3-dihydro-
4-BROMOISOINDOLIN-1-ONE
SY017599
4-Bromo-2,3-dihydro-isoindol-1-one
FT-0653485
Z1258930120
PB29648
EN300-108275
MFCD09701286
337536-15-9
AM20040208
4-bromo-2,3-dihydroisoindole-1-on
4-Bromoisoindolin-1-one
4-Bromoisoindoline-1-one

MDL Number

MFCD09701286

Customs Code

2933790090

FAQ

What are the physical and chemical properties of 4-Bromo-1-isoindolinone (CAS: 337536-15-9)?

4-Bromo-1-isoindolinone (CAS: 337536-15-9) is a white crystalline solid with a molecular weight of approximately 248.03 g/mol. It is slightly soluble in water but soluble in common organic solvents like ethanol and acetone. This compound exhibits good thermal stability but is susceptible to bromine displacement reactions, making it reactive in certain chemical environments.

How is 4-Bromo-1-isoindolinone (CAS: 337536-15-9) typically synthesized?

4-Bromo-1-isoindolinone can be synthesized through the bromination of 1-isoindolinone using bromine in the presence of an appropriate base like sodium hydroxide. The reaction is typically carried out in an inert solvent such as tetrahydrofuran (THF) at room temperature. This method provides good yield and selectivity for this brominated derivative.

What industries use 4-Bromo-1-isoindolinone (CAS: 337536-15-9)?

4-Bromo-1-isoindolinone (CAS: 337536-15-9) is primarily used in the pharmaceutical industry for the synthesis of various drug candidates. It also finds applications in the polymer industry as a precursor for functional polymers. Additionally, it is utilized in the sensor and semiconductor industries due to its specific chemical reactivity and functional groups.

What precautions should be taken when handling 4-Bromo-1-isoindolinone (CAS: 337536-15-9)?

When handling 4-Bromo-1-isoindolinone (CAS: 337536-15-9), it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. This compound should be stored in a cool, dry place, away from heat and direct sunlight. In case of a spill, immediately contain the spill using absorbent materials and consult the Safety Data Sheet (SDS) for further instructions. Always work in a well-ventilated area or a fume hood to minimize inhalation risks.