7-CHLOROISATIN Chemical Properties

Melting point:

187-191 °C

Density 

1.519±0.06 g/cm3(Predicted)

storage temp. 

Inert atmosphere,Room Temperature

pka

8.60±0.20(Predicted)

form 

Solid

color 

Orange

λmax

404nm(EtOH)(lit.)

InChI

InChI=1S/C8H4ClNO2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11/h1-3H,(H,10,11,12)

InChIKey

MPLXQMMMGDYXIT-UHFFFAOYSA-N

SMILES

N1C2=C(C=CC=C2Cl)C(=O)C1=O

CAS DataBase Reference

7477-63-6(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn,Xi

Risk Statements 

22-36/37/38

Safety Statements 

26-36/37/38

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

2933998090

MSDS

• Language:English Provider:SigmaAldrich

7-CHLOROISATIN Usage And Synthesis

Chemical Properties

Orange powder

Synthesis

In a 250 mL four-neck flask, N-(2-chlorophenyl)-2-isonitrosoacetanilide (0.025 mol) was added to 15 mL of concentrated sulfuric acid in batches, and the temperature of the addition was controlled not to exceed 50°C. The reaction was carried out in a four-neck flask. After the addition was completed, the temperature was slowly increased to 85 °C and the reaction was maintained. Upon completion of the reaction, the reaction solution was quenched by slowly pouring it into 100 mL of crushed ice under vigorous stirring. After continued stirring for 1 hour, the solid product was collected by filtration, and 2.97 g of 7-chloroisatin were obtained after drying as a light yellow solid with 65% yield.

References

[1] Patent: CN105732462, 2016, A. Location in patent: Paragraph 0022
[2] Annales de Chimie (Cachan, France), 1928, vol. <10>9, p. 287
[3] Helvetica Chimica Acta, 1919, vol. 2, p. 239
[4] European Journal of Pharmacology, 2007, vol. 556, # 1-3, p. 200 - 206
[5] Patent: US2009/275560, 2009, A1. Location in patent: Page/Page column 13; 25

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