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17133-48-1

Basic Information
CAS No.: 17133-48-1
Name: 2-CHLORO-1-(2,3-DIHYDRO-INDOL-1-YL)-ETHANONE
Article Data: 23
Molecular Structure:
Molecular Structure of 17133-48-1 (2-CHLORO-1-(2,3-DIHYDRO-INDOL-1-YL)-ETHANONE)
Formula: C10H10ClNO
Molecular Weight: 195.65
Synonyms: 1H-Indole,1-(chloroacetyl)-2,3-dihydro- (9CI);Indoline, 1-(chloroacetyl)- (7CI,8CI);1-(Chloroacetyl)-2,3-dihydro-1H-indole;1-(Chloroacetyl)indoline;1-(a-Chloroacetyl)indoline;1-Chloroacetyl-2,3-dihydroindole;N-(2-Chloroacetyl)indoline;N-Chloroacetyl-2,3-dihydroindole;NSC 151880;
Density: 1.285 g/cm3
Melting Point: 130-132 °C
Boiling Point: 388.3 °C at 760 mmHg
Flash Point: 188.6 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:;
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PSA: 20.31000
LogP: 1.87950
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Specification

The Ethanone,2-chloro-1-(2,3-dihydro-1H-indol-1-yl)-, with the CAS registry number 17133-48-1, is also known as 1-(Chloroacetyl)indoline. This chemical's molecular formula is C10H10ClNO and molecular weight is 195.65. What's more, its systematic name is 2-chloro-1-(2,3-dihydroindol-1-yl)ethanone.

Physical properties of Ethanone,2-chloro-1-(2,3-dihydro-1H-indol-1-yl)- are: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.09; (4)ACD/LogD (pH 7.4): 2.09; (5)ACD/BCF (pH 5.5): 22.97; (6)ACD/BCF (pH 7.4): 22.97; (7)ACD/KOC (pH 5.5): 328.07; (8)ACD/KOC (pH 7.4): 328.08; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 51.43 cm3; (15)Molar Volume: 152.2 cm3; (16)Polarizability: 20.39×10-24cm3; (17)Surface Tension: 49.1 dyne/cm; (18)Density: 1.285 g/cm3; (19)Flash Point: 188.6 °C; (20)Enthalpy of Vaporization: 63.75 kJ/mol; (21)Boiling Point: 388.3 °C at 760 mmHg; (22)Vapour Pressure: 3.1E-06 mmHg at 25°C.

Preparation of Ethanone,2-chloro-1-(2,3-dihydro-1H-indol-1-yl)-: this chemical can be prepared by 2,3-dihydro-indole and chloroacetyl chloride at the ambient temperature. This reaction will need reagent pyridine and solvent toluene with the reaction time of 12 hours. The yield is about 51%.

Ethanone,2-chloro-1-(2,3-dihydro-1H-indol-1-yl)- can be prepared by 2,3-dihydro-indole and chloroacetyl chloride at the ambient temperature

Uses of Ethanone,2-chloro-1-(2,3-dihydro-1H-indol-1-yl)-: it can be used to produce [2-(2,3-Dihydro-1-indolyl)-2-oxoethyl]triphenylphosphoniumchlorid by heating. It will need solvent toluene with the reaction time of 24 hours. The yield is about 96%.

Ethanone,2-chloro-1-(2,3-dihydro-1H-indol-1-yl)- can be used to produce [2-(2,3-Dihydro-1-indolyl)-2-oxoethyl]triphenylphosphoniumchlorid by heating

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(C2=CC=CC=C21)C(=O)CCl
(2)InChI: InChI=1S/C10H10ClNO/c11-7-10(13)12-6-5-8-3-1-2-4-9(8)12/h1-4H,5-7H2
(3)InChIKey: ARHQTTKUMFDVJJ-UHFFFAOYSA-N