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| CAS No.: | 7477-63-6 |
|---|---|
| Name: | 7-CHLOROISATIN |
| Molecular Structure: | |
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|
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| Formula: | C8H4ClNO2 |
| Molecular Weight: | 181.578 |
| Synonyms: | Indole-2,3-dione,7-chloro- (8CI);Isatin, 7-chloro- (6CI);7-Chloro-1H-indole-2,3-dione;7-Chloro-2,3-indolinedione;7-Chloroindole-2,3-dione;NSC400868; |
| EINECS: | 626-153-9 |
| Density: | 1.519 g/cm3 |
| Melting Point: | 187-191 °C |
| Appearance: | Orange Powder |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-36/37/38 |
| PSA: | 46.17000 |
| LogP: | 1.61280 |
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Specification
The 1H-Indole-2,3-dione,7-chloro- with CAS registry number of 7477-63-6 is also known as 7-Chloroisatin. The IUPAC name is 7-Chloro-1H-indole-2,3-dione. It belongs to product categories of Indane/Indanone and Derivatives; Halogenated Heterocycles; Heterocyclic Building Blocks; Indoles; IndolesBuilding Blocks. In addition, the formula is C8H4ClNO2 and the molecular weight is 181.58.
Physical properties about 1H-Indole-2,3-dione,7-chloro- are: (1)ACD/LogP: 1.07; (2)ACD/LogD (pH 5.5): 1.07; (3)ACD/LogD (pH 7.4): 1.04; (4)ACD/BCF (pH 5.5): 3.81; (5)ACD/BCF (pH 7.4): 3.59; (6)ACD/KOC (pH 5.5): 90.6; (7)ACD/KOC (pH 7.4): 85.31; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Index of Refraction: 1.626; (11)Molar Refractivity: 42.31 cm3; (12)Molar Volume: 119.5 cm3; (13)Surface Tension: 56.8 dyne/cm; (14)Density: 1.519 g/cm3.
Uses of 1H-Indole-2,3-dione,7-chloro-: it is used to produce 7-Chlorodioxindole. The reaction occurs with reagent sodium thionite and solvent H2O with other condition of heating. The yield is about 72%.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. What's more, it is harmful if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC2=C(C(=C1)Cl)NC(=O)C2=O
2. InChI: InChI=1S/C8H4ClNO2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11/h1-3H,(H,10,11,12)
3. InChIKey: MPLXQMMMGDYXIT-UHFFFAOYSA-N