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16078-34-5

Basic Information
CAS No.: 16078-34-5
Name: 1-(2,3-DIHYDRO-1H-INDOL-5-YL)-ETHANONE
Article Data: 6
Molecular Structure:
Molecular Structure of 16078-34-5 (1-(2,3-DIHYDRO-1H-INDOL-5-YL)-ETHANONE)
Formula: C10H11 N O
Molecular Weight: 161.203
Synonyms: Ketone,5-indolinyl methyl (6CI,8CI); 1-(2,3-Dihydro-1H-indol-5-yl)ethanone;5-Acetyl-2,3-dihydroindole; 5-Acetylindoline; NSC 75568
Density: 1.103g/cm3
Melting Point: 70.5-71℃
Boiling Point: 318.4°Cat760mmHg
Flash Point: 145°C
Hazard Symbols:
Safety: A poison by intravenous route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.
PSA: 29.10000
LogP: 1.99520
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Chemistry

Product Name: 5-Acetylindoline (CAS NO.16078-34-5)


Molecular Formula: C10H11NO
Molecular Weight: 161.2g/mol
Mol File: 16078-34-5.mol
Einecs: 240-223-2
Boiling point: 318.4 °C at 760 mmHg
Flash Point: 145 °C
Density: 1.103 g/cm3
Surface Tension: 41.7 dyne/cm
Enthalpy of Vaporization: 55.99 kJ/mol
Vapour Pressure: 0.000362 mmHg at 25°C
XLogP3-AA: 1.9
H-Bond Donor: 1
H-Bond Acceptor: 2
IUPAC Name: 1-(2,3-dihydro-1H-indol-5-yl)ethanone
Canonical SMILES: CC(=O)C1=CC2=C(C=C1)NCC2
InChI: InChI=1S/C10H11NO/c1-7(12)8-2-3-10-9(6-8)4-5-11-10/h2-3,6,11H,4-5H2,1H3 
InChIKey: GYMZRGMAWRJZPV-UHFFFAOYSA-N
Product Categories: Acetyl group; Indoles and derivatives

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 320mg/kg (320mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02219,

Safety Profile

A poison by intravenous route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.
Safety Information of 5-Acetylindoline (CAS NO.16078-34-5):
Hazard Codes: XiIrritant

 

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Specification

 5-Acetylindoline ,its CAS NO. is 16078-34-5,the synonyms is AI3-52427 ; BRN 0131199 ; EINECS 240-223-2 ; Indoline, 5-acetyl- ; Ketone, 5-indolinyl methyl ; NSC 75568 ;  1-(2,3-Dihydro-1H-indol-5-yl)ethan-1-one ; Ethanone, 1-(2,3-dihydro-1H-indol-5-yl)- (9CI) .