6-Bromo[1,3]oxazolo[4,5-b]pyridin-2(3H)-one

Basic Information

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CAS Number

21594-52-5

Molecular Formula

C6H3BrN2O2

Molecular Weight

215.01 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

232-236°C

Boiling Point

°Cat760mmHg

Density

1.928

Refractive Index

1.638

SMILES

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C1=C(C=NC2=C1OC(=O)N2)Br

InChI

InChI=1S/C6H3BrN2O2/c7-3-1-4-5(8-2-3)9-6(10)11-4/h1-2H,(H,8,9,10)

InChIKey

VQPBRWIFFBIRRP-UHFFFAOYSA-N

LogP

1.2785999999999997

Topological Polar Surface Area

58.89 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

187

Safety Information

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Hazard Statement

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

CS-W003545
DS-0362
6-Bromo-3H-oxazolo(4,5-b)pyridin-2-one
NS00009044
J-014165
SCHEMBL488612
SY007993
6-Bromooxazolo[4,5-b]pyridine-2(3H)-one
6-Bromo-3H-oxazolo[4,5-b]pyridin-2-one, AldrichCPR
MFCD08689590
AM803518
6-bromooxazolo[4,5-b]pyridin-2(3H)-one;6-Bromo[1,3]oxazolo[4,5-b]pyridin-2(3H)-one
J-518371
DTXSID50545057
6-BROMO-2H,3H-[1,3]OXAZOLO[4,5-B]PYRIDIN-2-ONE
6-BROMO[1,3]OXAZOLO[4,5-B]PYRIDIN-2(3H)-ONE
AC-9225
EC 676-057-6
FT-0648486
6-bromo-[1,3]-oxazolo[4,5-b]pyridin-2(3H)-one
6-bromooxazolo[4,5-b]pyridin-2(3H)-one
21594-52-5
6-bromo-oxazolo[4,5-b]-pyridin-2(3H)-one
Oxazolo[4,5-b]pyridin-2(3H)-one, 6-bromo-
6-Bromo-oxazolo[4,5-b]pyridin-2-ol
FS-2282
6-Bromo-3H-oxazolo[4 pound not5-b]pyridin-2-one
6-BROMO-3H-OXAZOLO[4,5-b]-PYRIDIN-2-ONE
6-Bromo-3H-oxazolo[4,5-b]pyridin-2-one
VQPBRWIFFBIRRP-UHFFFAOYSA-N
A4641

MDL Number

MFCD08689590

Customs Code

2934999090

FAQ

What regulatory guidelines apply to 6-Bromo[1,3]oxazolo[4,5-b]pyridin-2(3H)-one (CAS: 21594-52-5)?

The regulatory guidelines for 6-Bromo[1,3]oxazolo[4,5-b]pyridin-2(3H)-one (CAS: 21594-52-5) include GHS classification, REACH regulations, and FDA/EPA related requirements. It is classified as a potentially hazardous substance due to its bromine content. Manufacturers and importers must comply with GHS for labeling, and REACH regulations require registration if imported or manufactured in quantities above certain thresholds. EPA regulations may apply based on its intended use, such as in pharmaceuticals or agricultural applications.

Are there alternatives to 6-Bromo[1,3]oxazolo[4,5-b]pyridin-2(3H)-one in synthesis?

There are several alternatives to 6-Bromo[1,3]oxazolo[4,5-b]pyridin-2(3H)-one in synthesis. Common alternatives include brominated analogs like 5-bromo-3H-1,2,4-triazol-3-one and other heterocyclic compounds with similar functional groups. Alternative reagents such as bromoacetic acid or bromoform can also be used as starting materials in similar synthetic pathways.

What is the market or research trend for 6-Bromo[1,3]oxazolo[4,5-b]pyridin-2(3H)-one?

The market for 6-Bromo[1,3]oxazolo[4,5-b]pyridin-2(3H)-one is driven by its applications in pharmaceuticals and agricultural chemicals. Research trends indicate a focus on developing new derivatives for medicinal and pesticidal uses. Recent studies explore its potential as a potent inhibitor of various enzymes and its role in targeted drug delivery systems. The trend suggests continuous innovation in its synthesis and application areas.

How should waste containing 6-Bromo[1,3]oxazolo[4,5-b]pyridin-2(3H)-one be handled?

Waste containing 6-Bromo[1,3]oxazolo[4,5-b]pyridin-2(3H)-one (CAS: 21594-52-5) should be handled carefully due to its hazardous nature. Collection should be done in appropriate containers, and professional waste disposal services should be utilized for incineration or other methods as per local regulations. Precautions include proper ventilation and personal protective equipment to minimize exposure. Environmental protection measures should be in place to prevent any accidental release during handling or disposal.