Name: 3H-indol-3-one
SKU: 3260-61-5

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Basic Information

Molecular Structure:
CAS No.:	3260-61-5
Name:	3H-indol-3-one
Article Data:	11

Formula:	C₈H₇NO
Molecular Weight:	133.15
Synonyms:	3-Indolinone(7CI,8CI);3-Oxindole;NSC 26337;Pseudoindoxyl;
Density:	1.198 g/cm³
Boiling Point:	282.463 °C at 760 mmHg
Flash Point:	139.886 °C
PSA:	29.10000
LogP:	1.43280

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Specification

The 3H-Indol-3-one,1,2-dihydro-, with the CAS registry number 3260-61-5, is also known as 3-Indolinone. This chemical's molecular formula is C₈H₇NO and molecular weight is 133.05. What's more, its systematic name is called 1,2-Dihydro-3H-indol-3-one.

Physical properties about 3H-Indol-3-one,1,2-dihydro- are: (1)ACD/LogP: 2.429; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.43; (4)ACD/LogD (pH 7.4): 2.43; (5)ACD/BCF (pH 5.5): 41.28; (6)ACD/BCF (pH 7.4): 41.29; (7)ACD/KOC (pH 5.5): 499.08; (8)ACD/KOC (pH 7.4): 499.13; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.1 Å²; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 37.294 cm³; (15)Molar Volume: 111.055 cm³; (16)Polarizability: 14.785×10^-24 cm³; (17)Surface Tension: 43.91 dyne/cm; (18)Density: 1.199 g/cm³; (19)Flash Point: 139.886 °C; (20)Enthalpy of Vaporization: 52.132 kJ/mol; (21)Boiling Point: 282.463 °C at 760 mmHg; (22)Vapour Pressure: 0.0030 mmHg at 25 °C.

Preparation of 3H-Indol-3-one,1,2-dihydro-: this chemical can be prepared by N-phenyl-glycine. This reaction needs reagents triphenylphosphine oxide, triflic anhydride, Et₃N and solvent 1,2-dichloro-ethane at temperature of 25 °C. The reaction time is 2min. The yield is 92 %.

3H-Indol-3-one,1,2-dihydro- can be prepared by N-phenyl-glycine.

Uses of 3H-Indol-3-one,1,2-dihydro-: it is used to produce other chemicals. For example, it can react with glyoxal to get cis-cis-a,b-bis(3-oxo-indolibyliden-2)-ethane. The reaction occurs with reagent HCl and other condition of heating for 1.5 hours. The yield is 32 %.

3H-Indol-3-one,1,2-dihydro- can react with glyoxal to get cis-cis-a,b-bis(3-oxo-indolibyliden-2)-ethane.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2c1ccccc1NC2
(2) InChI: InChI=1S/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-4,9H,5H2
(3) InChIKey: LIRDJALZRPAZOR-UHFFFAOYSA-N