| Identification | More | [Name]
7-CHLOROISATIN | [CAS]
7477-63-6 | [Synonyms]
7-CHLORO-1H-INDOLE-2,3-DIONE
7-CHLORO-2,3-INDOLINEDIONE
7-CHLOROISATIN
BUTTPARK 34\07-88
7-Chloro-1H-indole-2,3-dione >98%
7-CHLOROINDOLE-3-CARBONITRILE
7-chloro isotin | [EINECS(EC#)]
626-153-9 | [Molecular Formula]
C8H4ClNO2 | [MDL Number]
MFCD00022796 | [Molecular Weight]
181.58 | [MOL File]
7477-63-6.mol |
| Chemical Properties | Back Directory | [Melting point ]
187-191 °C | [density ]
1.519±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,Room Temperature | [form ]
Solid | [pka]
8.60±0.20(Predicted) | [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 Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
3 | [HazardClass ]
IRRITANT | [HS Code ]
2933998090 |
| Hazard Information | Back Directory | [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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