3-oxo-4H-1,4-benzoxazine-6-carbaldehyde

Basic Information

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CAS Number

200195-15-9

Molecular Formula

C9H7NO3

Molecular Weight

177.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Solid

SMILES

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C1C(=O)NC2=C(O1)C=CC(=C2)C=O

InChI

InChI=1S/C9H7NO3/c11-4-6-1-2-8-7(3-6)10-9(12)5-13-8/h1-4H,5H2,(H,10,12)

InChIKey

VHKABBARGFUYOF-UHFFFAOYSA-N

LogP

0.8300000000000001

Topological Polar Surface Area

55.400000000000006 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

229

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H412 Harmful to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

3-Oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carbaldehyde
FT-0646991
3-oxo-4H-1, 4-benzoxazine-6-carbaldehyde
AS-38199
AKOS009332274
MB04525
200195-15-9
DTXSID20444649
AMY19021
3-oxo-3,4-dihydro-2H-benzo[1,4]-oxazine-6-carbaldehyde
A13104
BDBM50438255
SCHEMBL531838
3-Oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carbaldehyde, AldrichCPR
3-Oxo-3,4-dihydro-2H-benzo [1,4] oxazine-6-carbaldehyde
3-OXO-4H-1,4-BENZOXAZINE-6-CARBALDEHYDE
3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbaldehyde
3-oxo-3,4-dihydro-2H-1,4-benzooxazine-6-carbaldehyde
3-oxo-3,4-dihydro-2h-benzo[b][1,4]oxazine-6-carbaldehyde
6-formyl-4H-benzo[1,4]oxazin-3-one
3-Oxo-3,4-dihydro-2H-benzo[b]-[1,4]oxazine-6-carbaldehyde
EN300-98111
CS-0085223
2H-1,4-Benzoxazine-6-carboxaldehyde, 3,4-dihydro-3-oxo-
CHEMBL2407100
3-oxo-3,4-dihydro-2h-1,4-benzoxazine-6-carboxaldehyde
3-Oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carboxaldehyde
MFCD07369979
VHKABBARGFUYOF-UHFFFAOYSA-N
Z385369962
2H-1,4-Benzoxazine-6-carboxaldehyde,3,4-dihydro-3-oxo-

MDL Number

MFCD07369979

FAQ

What regulatory guidelines apply to 3-oxo-4H-1,4-benzoxazine-6-carbaldehyde (CAS: 200195-15-9)?

3-oxo-4H-1,4-benzoxazine-6-carbaldehyde (CAS: 200195-15-9) is subject to the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations in the EU, and FDA/EPA requirements for chemical handling and discharge. It is classified as a hazardous substance due to its potential for skin and eye irritation. Compliance with these guidelines is essential for safe handling and disposal.

Are there alternatives to 3-oxo-4H-1,4-benzoxazine-6-carbaldehyde in its synthesis?

There are several alternatives to 3-oxo-4H-1,4-benzoxazine-6-carbaldehyde in synthesis, such as 4H-1,4-benzoxazine-3-carbaldehyde and its analogs. Common alternative reagents include acetaldehyde and benzoic acid. These alternatives can offer similar functionality in some reactions, reducing the need for the target compound.

What is the market or research trend for 3-oxo-4H-1,4-benzoxazine-6-carbaldehyde (CAS: 200195-15-9)?

The market for 3-oxo-4H-1,4-benzoxazine-6-carbaldehyde (CAS: 200195-15-9) is growing due to its applications in pharmaceuticals and agrochemicals. Research trends focus on its use as a building block for complex molecules and its potential as a bioisostere. Increasing demand in these sectors suggests ongoing innovation and expansion of its applications.

How should waste containing 3-oxo-4H-1,4-benzoxazine-6-carbaldehyde (CAS: 200195-15-9) be handled?

Waste containing 3-oxo-4H-1,4-benzoxazine-6-carbaldehyde (CAS: 200195-15-9) should be collected in appropriate containers and disposed of through incineration or professional waste disposal services. Environmental protection precautions include ensuring that all waste is properly labeled and that disposal methods comply with local and national regulations to prevent environmental contamination.