5-Chloroisatoic anhydride
Synonym(s):6-Chloro-1,2-dihydro-4H-3,1-benzoxazine-2,4-dione
- CAS NO.：4743-17-3
- Empirical Formula: C8H4ClNO3
- Molecular Weight: 197.58
- MDL number: MFCD00006701
- EINECS: 225-255-7
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-13 17:19:14
What is 5-Chloroisatoic anhydride?
Chemical properties
White powder
The Uses of 5-Chloroisatoic anhydride
5-Chloroisatoic Anhydride was used as a reagent in the synthesis of 2-acetamidobenzamides bearing the 2-phenoxy functionality which display antiproliferative activity against certain tumor cell lines. Also used in the preparation of inhibitors of delta-5 desaturase.
Preparation
5-Chloroisatoic anhydride is prepared from 5-chloro indole (9c) by stirring in a 4:1 mixture of DMF/H2O for 16 h at room temperature.
1 H NMR (DMSO-d6): δ 11.85 (s, br., 1H), 7.96 (dd, J = 0.8, 8.7 Hz, 1H), 7.87 (dd, J = 2.3, 8.7 Hz, 1H), 7.09 (dd, J = 8.8, 0.8 Hz, 1H).
Properties of 5-Chloroisatoic anhydride
| Melting point: | 300 °C (dec.) (lit.) |
| Density | 1.540±0.06 g/cm3(Predicted) |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | DMSO (Slightly) |
| form | Solid |
| pka | 9.76±0.20(Predicted) |
| color | Off-White |
| CAS DataBase Reference | 4743-17-3(CAS DataBase Reference) |
| EPA Substance Registry System | 2H-3,1-Benzoxazine-2,4(1H)-dione, 6-chloro- (4743-17-3) |
Safety information for 5-Chloroisatoic anhydride
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 5-Chloroisatoic anhydride
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product: 4743-17-3 5-Chloroisatoic anhydride 98%
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