4-Bromo-1,3-dihydro-2H-indol-2-one

Basic Information

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CAS Number

99365-48-7

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

Melting Point

220.0 to 224.0 deg-C

Boiling Point

358.2°C at 760 mmHg

Flash Point

170.4℃

SMILES

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C1C2=C(C=CC=C2Br)NC1=O

InChI

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

InChIKey

XQQPPAZTHUEMPF-UHFFFAOYSA-N

LogP

1.9436999999999998

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

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

B5903
4-Bromo-2-oxyindole
AM20050587
2H-Indol-2-one, 4-bromo-1,3-dihydro-
4-bromo-1,3-dihydro -2H-indol-2-one
Z1269158294
EN300-233460
NE-0050
4-Bromoindolin-2-one
CS-W005098
BCP05909
Q-102636
99365-48-7
4-BROMO-1,3-DIHYDRO-INDOL-2-ONE
AKOS015835479
4-BROMO-2-OXINDOLE
SY003107
SCHEMBL19938
XQQPPAZTHUEMPF-UHFFFAOYSA-N
AC-27822
4-Bromooxindole
4-bromoxindole
4-Bromo-1,3-dihydro-2H-indol-2-one
A15947
MFCD06659911
FT-0647596
4-bromo-1,3-dihydroindol-2-one
4-bromooxindole, AldrichCPR
DTXSID20376799
BL002803
PB23473

MDL Number

MFCD06659911

Customs Code

2933790090

FAQ

What are the physical and chemical properties of 4-Bromo-1,3-dihydro-2H-indol-2-one (CAS: 99365-48-7)?

4-Bromo-1,3-dihydro-2H-indol-2-one (CAS: 99365-48-7) is a crystalline solid with a molecular weight of approximately 227.03 g/mol. It has a low solubility in water but is more soluble in polar organic solvents like dimethylformamide (DMF) and dimethyl sulfoxide (DMSO). This compound is known for its good reactivity towards nucleophiles and has moderate stability under acidic and basic conditions.

How is 4-Bromo-1,3-dihydro-2H-indol-2-one (CAS: 99365-48-7) typically synthesized?

4-Bromo-1,3-dihydro-2H-indol-2-one is commonly synthesized through the bromination of indole-2-one. This process involves the use of bromine in the presence of a base like sodium hydroxide. The reaction is typically carried out in a polar solvent such as dimethyl sulfoxide (DMSO) and yields the target compound in moderate to good selectivity and yield.

What industries use 4-Bromo-1,3-dihydro-2H-indol-2-one (CAS: 99365-48-7)?

4-Bromo-1,3-dihydro-2H-indol-2-one (CAS: 99365-48-7) is primarily used in the pharmaceutical industry for the synthesis of novel drug candidates. It also finds applications in the sensor industry due to its specific reactivity and in the semiconductor industry as an intermediate for the development of advanced materials.

What precautions should be taken when handling 4-Bromo-1,3-dihydro-2H-indol-2-one (CAS: 99365-48-7)?

When handling 4-Bromo-1,3-dihydro-2H-indol-2-one (CAS: 99365-48-7), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize inhalation risk. Spills should be neutralized with a suitable base or acid before cleaning up. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.