5-fluoroisoindolin-1-one

Product Name: 5-fluoroisoindolin-1-one
CAS No.: 1260666-80-5
Chemical Name: 5-fluoroisoindolin-1-one
Synonyms: 100701;5-fluoroisoindolin-1-one;1,10-Phenanthroline-5,9-dione;5-Fluoro-2,3-dihydro-isoindol-1-one;5-fluoro-2,3-dihydro-1H-isoindol-1-one;1H-Isoindol-1-one, 5-fluoro-2,3-dihydro-
CBNumber: CB32609987
Molecular Formula: C8H6FNO
Formula Weight: 151.14
MOL File: 1260666-80-5.mol

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5-fluoroisoindolin-1-one Property

Boiling point:: 398.3±42.0 °C(Predicted)
Density: 1.311±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 13.83±0.20(Predicted)
Appearance: White to off-white Solid
InChI: InChI=1S/C8H6FNO/c9-6-1-2-7-5(3-6)4-10-8(7)11/h1-3H,4H2,(H,10,11)
InChIKey: NKCDELXKANYEQE-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=C(F)C=C2)CN1

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Safety

HS Code: 2933998090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P321Specific treatment (see … on this label).

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P362Take off contaminated clothing and wash before reuse.

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N-Bromosuccinimide Price

TRC

Product number: F592815
Product name: 5-Fluoroisoindolin-1-one
Packaging: 500mg
Price: $330
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: HCH0367456
Product name: 5-FLUOROISOINDOLIN-1-ONE
Purity: 95.00%
Packaging: 0.25G
Price: $247
Updated: 2021/12/16

Apolloscientific

Product number: PC901570
Product name: 5-Fluoro-2,3-dihydroisoindol-1-one
Purity: 95%
Packaging: 250mg
Price: $298
Updated: 2021/12/16

AK Scientific

Product number: 4957AA
Product name: 5-Fluoroisoindolin-1-one
Packaging: 1g
Price: $343
Updated: 2021/12/16

Apolloscientific

Product number: PC901570
Product name: 5-Fluoro-2,3-dihydroisoindol-1-one
Purity: 95%
Packaging: 1g
Price: $885
Updated: 2021/12/16

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5-fluoroisoindolin-1-one Chemical Properties,Usage,Production

Synthesis

127510-96-7

1260666-80-5

The general procedure for the synthesis of 5-fluoroisoindolin-1-one from methyl 2-cyano-4-fluorobenzoate was as follows: a solution of Raney nickel (4.00 g) and methyl 2-cyano-4-fluorobenzoate (2.00 g, 11.2 mmol) in ethanol (20 mL) under nitrogen protection was added to a 250 mL Parr reactor. The reactor was connected to a Parr hydrogenation unit, evacuated and filled with hydrogen to a pressure of 50 psi and reacted under shaking conditions for 16 hours. Upon completion of the reaction, the hydrogen was withdrawn and refilled with nitrogen. Diatomaceous earth 521 (5.00 g) was added to the reaction mixture and filtered through a diatomaceous earth 521 pad. The filter cake was washed with ethanol (2 x 75 mL), the filtrates were combined and concentrated to dryness under reduced pressure to afford the colorless oily product 5-fluoroisoindolin-1-one in 76% yield (1.29 g). The structure of the product was confirmed by 1H NMR (500 MHz, CDCl3): δ 7.85 (dd, 1H, J = 8.5, 5.5 Hz), 7.21-7.16 (m, 2H), 7.05 (br s, 1H), 4.56 (s, 2H).

References

[1] Patent: WO2012/30990, 2012, A1. Location in patent: Page/Page column 70-71
[2] Patent: WO2012/31004, 2012, A1. Location in patent: Page/Page column 114
[3] Patent: CN103804358, 2016, B. Location in patent: Paragraph 0403
[4] Patent: WO2018/26371, 2018, A1. Location in patent: Paragraph 0158; 0270

5-fluoroisoindolin-1-one Preparation Products And Raw materials

Raw materials

Preparation Products

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5-fluoroisoindolin-1-one Suppliers

China 55 India 2 United States 7 Global 64

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1260666-80-5, 5-fluoroisoindolin-1-oneRelated Search:

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5-fluoroisoindolin-1-one

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1260666-80-5