1(3H)-Isobenzofuranone, 3-(1H-indol-3-yl)- supplier

Name
3-(1H-indol-3-yl)-3H-isobenzofuran-1-one
EINECS
CAS No. 6936-87-4
Article Data7
CAS DataBase
Density 1.364 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₁NO₂
Boiling Point 492.3 °C at 760 mmHg
Molecular Weight 249.26
Flash Point 251.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phthalide, 3-indol-3-yl- (6CI,8CI);NSC 42087;3-(1H-Indol-3-yl)-2-benzofuran-1(3H)-one;
PSA 42.09000
LogP 3.42770

1(3H)-Isobenzofuranone, 3-(1H-indol-3-yl)- Specification

The 1(3H)-Isobenzofuranone, 3-(1H-indol-3-yl)-, with the CAS registry number 6936-87-4, is also known as Phthalide, 3-indol-3-yl- (6CI,8CI). This chemical's molecular formula is C₁₆H₁₁NO₂ and molecular weight is 249.26. What's more, its systematic name is 3-(1H-indol-3-yl)-2-benzofuran-1(3H)-one.

Physical properties of 1(3H)-Isobenzofuranone, 3-(1H-indol-3-yl)- are: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 31.23 Å²; (7)Index of Refraction: 1.721; (8)Molar Refractivity: 72.27 cm³; (9)Molar Volume: 182.6 cm³; (10)Polarizability: 28.65×10^-24cm³; (11)Surface Tension: 63.6 dyne/cm; (12)Density: 1.364 g/cm³; (13)Flash Point: 251.5 °C; (14)Enthalpy of Vaporization: 75.92 kJ/mol; (15)Boiling Point: 492.3 °C at 760 mmHg; (16)Vapour Pressure: 7.76E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2OC(c1ccccc12)c4c3ccccc3nc4
(2)InChI: InChI=1S/C16H11NO2/c18-16-12-7-2-1-6-11(12)15(19-16)13-9-17-14-8-4-3-5-10(13)14/h1-9,15,17H
(3)InChIKey: NFKMAYYHLXEVDM-UHFFFAOYSA-N

Product Name

3-(1H-indol-3-yl)-3H-isobenzofuran-1-one

1(3H)-Isobenzofuranone, 3-(1H-indol-3-yl)- Specification

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