2-[7-Fluoro-3-oxo-4-(2-propyn-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione

Basic Information

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CAS Number

103361-09-7

Molecular Formula

C19H15FN2O4

Molecular Weight

16.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

201.83-203.83°

Boiling Point

644.4 °C at 760 mmHg

Flash Point

343.5 °C

Refractive Index

1.661

SMILES

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C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)CCCC4)F

InChI

InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2

InChIKey

FOUWCSDKDDHKQP-UHFFFAOYSA-N

LogP

0.6361

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

724

Safety Information

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GHS Hazard Pictograms

H360

H410

Hazard Statement

H360 May damage fertility or the unborn child
Reproductive toxicity

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Toxicity

LD50 in rats (mg/kg): >5000 orally; >2000 dermally; LC50 (4 hr) in rats (mg/m3): >3930 by inhalation; LC50 (96 hr) in bluegill, rainbow trout (mg/l): >21, 2.3 (Yoshida).

Synonyms & References

English

NS00010176
VALOR
Flumioxazin 10 microg/mL in Acetonitrile
n-(7-fluoro-3,4-dihydro-3-oxo-4-prop-2-ynyl-2h-1,4-benzoxazin-6-yl)cyclohex-1-ene-1,2-dicarboxamide
Sumisoya
Flumioxazin
Flumioxazine
V-53482
S-53482
CS-0063339
UNII-L0PX7OGI22
2-(7-FLUORO-3,4-DIHYDRO-3-OXO-4-(2-PROPYNYL)-2H-1,4-BENZOXAZIN-6-YL)-4,5,6,7-TETRAHYDRO-1H-ISOINDOLE-1,3(2H)-DIONE
DTXCID5012555
HY-114507
2-[7-Fluoro-3,4-dihydro-3-oxo-4-(2-propynyl)-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione, 9CI
FT-0631025
Flumioxazin, PESTANAL(R), analytical standard
2-[7-Fluoro-3,4-dihydro-3-oxo-4-(2-propyn-1-yl)-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione
CAS-103361-09-7
V53482
CHEMBL2133606
CHEBI:8939
2-[7-fluoro-4-(2-propynyl)-2H-1,4-benzoxazin-3(4H)-on-6-yl]-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione
L0PX7OGI22
Tox21_301061
Fluminoxazin
Flumioxazin [ISO]
HSDB 7012
SCHEMBL39699
AMY3526
S53482

MDL Number

MFCD01754256

FAQ

What regulatory guidelines apply to 2-[7-Fluoro-3-oxo-4-(2-propyn-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione (CAS: 103361-09-7)?

This compound (CAS: 103361-09-7) is subject to regulatory guidelines such as the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations for European Chemicals, and FDA requirements for pharmaceutical and food additives. EPA guidelines may apply for environmental and safety management. Additionally, local and regional regulations should be consulted for comprehensive compliance.

Are there alternatives to 2-[7-Fluoro-3-oxo-4-(2-propyn-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione (CAS: 103361-09-7) in synthesis?

Alternatives to this compound may include similar functional groups or structural analogs such as fluoro-substituted benzoxazinones or isoindoles. Common alternatives in synthesis include other heterocyclic compounds like pyridines, indoles, or triazoles. It is important to consider the specific application and desired properties when selecting an alternative.

What is the market or research trend for 2-[7-Fluoro-3-oxo-4-(2-propyn-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione (CAS: 103361-09-7)?

The market for this compound is primarily driven by its use in pharmaceutical and research applications. Recent trends show increasing interest in the development of novel drugs and materials for therapeutic and industrial purposes. Research is focusing on its potential in anticancer, antibacterial, and biochemical applications, reflecting a growing demand in specialized chemical fields.

How should waste containing 2-[7-Fluoro-3-oxo-4-(2-propyn-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione (CAS: 103361-09-7) be handled?

Waste containing this compound should be collected in appropriate containers and disposed of through professional waste management services. Incineration is a common method for disposal, ensuring complete destruction of the compound. Environmental protection measures include the use of protective equipment and following local regulations to minimize environmental impact. It is crucial to consult with local authorities for specific disposal guidelines.