(2,3-Dihydro-1H-indol-1-yl)phenylmethanone supplier

Name
1-BENZYL-2,3-DIHYDRO-1H-INDOLE
EINECS
CAS No. 61589-14-8
Article Data27
CAS DataBase
Density 1.196 g/cm³
Solubility
Melting Point 120.5-122 °C(Solv: ethyl acetate (141-78-6))
Formula C₁₅H₁₃NO
Boiling Point 377.4 °C at 760 mmHg
Molecular Weight 223.274
Flash Point 176.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2, 3-Dihydro-1H-indol-1-yl(phenyl)methanone;
PSA 20.31000
LogP 2.95450

(2,3-Dihydro-1H-indol-1-yl)phenylmethanone Specification

The 1-Benzyl-2, 3-dihydro-1H-indole, with the CAS registry number of 61589-14-8, is also known as 2, 3-Dihydro-1H-indol-1-yl(phenyl)methanone. This chemical's molecular formula is C₁₅H₁₃NO and molecular weight is 223.27. What's more, its IUPAC name is 2, 3-Dihydroindol-1-yl(phenyl)methanone.

Physical properties about 1-Benzyl-2, 3-dihydro-1H-indole are: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 20.31 Å²; (7)Index of Refraction: 1.637; (8)Molar Refractivity: 67.02 cm³; (9)Molar Volume: 186.6 cm³; (10)Polarizability: 26.57×10^-24 cm³; (11)Surface Tension: 50.6 dyne/cm; (12)Density: 1.196 g/cm³; (13)Flash Point: 176.6 °C; (14)Enthalpy of Vaporization: 62.51 kJ/mol; (15)Boiling Point: 377.4 °C at 760 mmHg; (16)Vapour Pressure: 6.77E-06 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Benzoyl chloride with 2, 3-Dihydro-indole at heating. The reaction needs reagent aq. NaOH. The reaction time is 1 hour. The yield is about 91.8 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccccc1)N3c2ccccc2CC3
(2) InChI: InChI=1/C15H13NO/c17-15(13-7-2-1-3-8-13)16-11-10-12-6-4-5-9-14(12)16/h1-9H,10-11H2
(3) InChIKey: NJZYEXUZNJGGPH-UHFFFAOYAQ

Product Name

1-BENZYL-2,3-DIHYDRO-1H-INDOLE

(2,3-Dihydro-1H-indol-1-yl)phenylmethanone Specification

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