7-Bromo-2(1H)-quinoxalinone

Basic Information

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CAS Number

82031-32-1

Molecular Formula

C8H5BrN2O

Molecular Weight

225.05 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

White to Yellow Solid

SMILES

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C1=CC2=C(C=C1Br)NC(=O)C=N2

InChI

InChI=1S/C8H5BrN2O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-4H,(H,11,12)

InChIKey

PXVQWJPOMIRXQL-UHFFFAOYSA-N

LogP

2.0978999999999997

Topological Polar Surface Area

46.010000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

229

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

7-Bromo-2(1H)-quinoxalinone
7-bromoquinoxalin-2-one
AB09151
7-bromoquinoxalin-2-ol
PXVQWJPOMIRXQL-UHFFFAOYSA-N
7-bromanyl-1H-quinoxalin-2-one
7-bromo-1H-quinoxalin-2-one
AM9944
7-bromoquinoxalin-2(1H)-one
AC-9418
82031-32-1
FT-0647279
A840236
7-BROMO-1,2-DIHYDROQUINOXALIN-2-ONE
DTXSID20406762
EN300-319535
2(1H)-QUINOXALINONE, 7-BROMO-
SCHEMBL622295
AKOS005620916
7-Bromo-2(1H)-quinoxalinone; 7-Bromo-1H-quinoxalin-2-one; 7-Bromoquinoxalin-2(1H)-one
CS-W008865
FS-2856
SY112246
J-518331
J-519179
MFCD01465145
7-Bromo-1H-quinoxalin-2-one
7-Bromoquinoxalin-2(1H)-one
2(1H)-Quinoxalinone, 7-bromo-
7-Brom-1H-chinoxalin-2-on
7-bromo-2(1H)-quinoxalinone

MDL Number

MFCD01464325

FAQ

What regulatory guidelines apply to 7-Bromo-2(1H)-quinoxalinone (CAS: 82031-32-1)?

7-Bromo-2(1H)-quinoxalinone (CAS: 82031-32-1) is subject to various regulatory guidelines. Under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), it may be classified as a hazardous chemical based on its physical and health hazards. Additionally, it falls under the European Union's Registration, Evaluation, Authorization, and Restriction of Chemicals (REACH) regulations, which require registration if it meets the tonnage threshold. The U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) also have specific requirements for the handling and reporting of this compound.

Are there alternatives to 7-Bromo-2(1H)-quinoxalinone (CAS: 82031-32-1) in synthesis?

Alternative reagents and compounds can be used in the synthesis of 7-Bromo-2(1H)-quinoxalinone (CAS: 82031-32-1). Common substitutes include bromoacetic acid and quinoxaline, which can be used to produce similar brominated quinoxaline derivatives. Other analogs, such as 2-bromo-1,3-diketone, can also be considered. It's important to evaluate the availability and cost of these alternatives, as well as their reactivity and yield in the synthesis process.

What is the market or research trend for 7-Bromo-2(1H)-quinoxalinone (CAS: 82031-32-1)?

The market for 7-Bromo-2(1H)-quinoxalinone (CAS: 82031-32-1) is primarily driven by its applications in pharmaceuticals and materials science. Recent research trends indicate an increasing interest in the compound for developing new drug candidates and as a precursor in the synthesis of other useful quinoxaline derivatives. The trend is also showing potential in the field of organic electronics and as an intermediate in polymer synthesis. Market demand is expected to grow with advancements in these areas.

How should waste containing 7-Bromo-2(1H)-quinoxalinone (CAS: 82031-32-1) be handled?

Waste containing 7-Bromo-2(1H)-quinoxalinone (CAS: 82031-32-1) should be collected in appropriate containers and stored in a secure, well-ventilated area until disposal. The waste should be neutralized, if necessary, and then incinerated or disposed of through a licensed professional waste disposal service. Environmental protection measures include ensuring that the waste is not released into the environment and that proper safety precautions, such as wearing protective equipment, are followed. Proper labeling and documentation of the waste are also essential.