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| CAS No.: | 17630-75-0 |
|---|---|
| Name: | 5-Chlorooxindole |
| Article Data: | 55 |
| Molecular Structure: | |
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| Formula: | C8H6ClNO |
| Molecular Weight: | 167.595 |
| Synonyms: | 2H-Indol-2-one, 5-chloro-1,3-dihydro-;5-Chlor-1,3-dihydro-2H-indol-2-on;5-chloroindolin-2-one; |
| EINECS: | 412-200-9 |
| Density: | 1.362 g/cm3 |
| Melting Point: | 194-197 °C(lit.) |
| Boiling Point: | 348.3 °C at 760 mmHg |
| Flash Point: | 164.5 °C |
| Appearance: | Tan powder |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 22-36/37/38-43-62 |
| Safety: | 24-45-36/37/39 |
| PSA: | 29.10000 |
| LogP: | 1.97260 |
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Specification
The 2H-Indol-2-one, 5-chloro-1,3-dihydro-, with the CAS registry number 17630-75-0 and EINECS registry number 412-200-9, has the systematic name of 5-chloro-1,3-dihydro-2H-indol-2-one. It is a kind of tan powder, and belongs to the following product categories: Oxindoles; Blocks; Indoles Oxindoles; Indole/indoline/oxindole; Indole and Indoline; Indoles and derivatives; Indole; Indoles; Heterocycles. And the molecular formula of the chemical is C8H6ClNO.
The characteristics of 2H-Indol-2-one, 5-chloro-1,3-dihydro- are as followings: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 23.95; (6)ACD/BCF (pH 7.4): 23.95; (7)ACD/KOC (pH 5.5): 338.01; (8)ACD/KOC (pH 7.4): 338.01; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 42.18 cm3; (15)Molar Volume: 123 cm3; (16)Polarizability: 16.72×10-24cm3; (17)Surface Tension: 47.5 dyne/cm; (18)Density: 1.362 g/cm3; (19)Flash Point: 164.5 °C; (20)Enthalpy of Vaporization: 59.27 kJ/mol; (21)Boiling Point: 348.3 °C at 760 mmHg; (22)Vapour Pressure: 5.07E-05 mmHg at 25°C.
Uses of 2H-Indol-2-one, 5-chloro-1,3-dihydro-: It can react with 2,2-dimethoxy-1-methylpiperidine to produce 5-chloro-3-(1-methyl-piperidin-2-ylidene)-1,3-dihydro-indol-2-one. This reaction will need menstruum diethyl ether. The reaction time is 5 hours with temperature of ambient temperature, and the yield is about 76.2%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful if swallowed. What's more, it may also cause sensitization by skin contact, and has possible risk of impaired fertility. Therefore, you had better take the following instructions: Avoid contact with skin; Wear suitable protective clothing, gloves and eye/face protection, and if in case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc2c(cc1)NC(=O)C2
(2)InChI: InChI=1/C8H6ClNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
(3)InChIKey: WWJLCYHYLZZXBE-UHFFFAOYAF