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5-Chlorooxindole

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Name

5-Chlorooxindole

EINECS 412-200-9
CAS No. 17630-75-0 Density 1.362 g/cm3
PSA 29.10000 LogP 1.97260
Solubility N/A Melting Point 194-197 °C(lit.)
Formula C8H6ClNO Boiling Point 348.3 °C at 760 mmHg
Molecular Weight 167.595 Flash Point 164.5 °C
Transport Information N/A Appearance Tan powder
Safety 24-45-36/37/39 Risk Codes 22-36/37/38-43-62
Molecular Structure Molecular Structure of 17630-75-0 (5-Chlorooxindole) Hazard Symbols HarmfulXn,IrritantXi
Synonyms

2H-Indol-2-one, 5-chloro-1,3-dihydro-;5-Chlor-1,3-dihydro-2H-indol-2-on;5-chloroindolin-2-one;

Article Data 55

5-Chlorooxindole 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

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