Ethanone,1-(1H-indol-2-yl)- supplier

Name
2-ACETYLINDOLE
EINECS
CAS No. 4264-35-1
Article Data3
CAS DataBase
Density 1.193 g/cm³
Solubility
Melting Point 154-155 °C
Formula C₁₀H₉NO
Boiling Point 333.9 °C at 760 mmHg
Molecular Weight 159.188
Flash Point 163.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ketone,indol-2-yl methyl (7CI,8CI);1-(1H-Indol-2-yl)ethanone;2-Acetylindole;
PSA 32.86000
LogP 2.37050

Ethanone,1-(1H-indol-2-yl)- Specification

The Ethanone,1-(1H-indol-2-yl)- with CAS registry number of 4264-35-1 is also called 2-Acetylindole. The systematic name is 1-(1H-indol-2-yl)ethanone. In addition, the molecular formula is C₁₀H₉NO and the molecular weight is 159.18. It is a kind of yellow crystalline solid and belongs to the classes of Acetylgroup; Indole Derivatives; Intermediates. And it can be used as intermediate for the synthesis of pharmaceutical actives.

Physical properties about Ethanone,1-(1H-indol-2-yl)- are: (1)ACD/LogP: 1.59; (2)ACD/LogD (pH 5.5): 1.59; (3)ACD/LogD (pH 7.4): 1.59; (4)ACD/BCF (pH 5.5): 9.5; (5)ACD/BCF (pH 7.4): 9.5; (6)ACD/KOC (pH 5.5): 174.37; (7)ACD/KOC (pH 7.4): 174.37; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 22 Å²; (12)Index of Refraction: 1.648; (13)Molar Refractivity: 48.55 cm³; (14)Molar Volume: 133.4 cm³; (15)Polarizability: 19.24 ×10^-24cm³; (16)Surface Tension: 50.6 dyne/cm; (17)Density: 1.193 g/cm³; (18)Flash Point: 163.7 °C; (19)Enthalpy of Vaporization: 57.68 kJ/mol; (20)Boiling Point: 333.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000132 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c2cc1ccccc1n2)C
(2)InChI: InChI=1/C10H9NO/c1-7(12)10-6-8-4-2-3-5-9(8)11-10/h2-6,11H,1H3
(3)InChIKey: QXJMCSBBTMVSJS-UHFFFAOYAG

Product Name

2-ACETYLINDOLE

Ethanone,1-(1H-indol-2-yl)- Specification

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