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9-Benzyl-3-formylcarbazole

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Name

9-Benzyl-3-formylcarbazole

EINECS N/A
CAS No. 54117-37-2 Density 1.14 g/cm3
PSA 22.00000 LogP 4.65530
Solubility N/A Melting Point 134 °C
Formula C20H15NO Boiling Point 444.9 °C at 760 mmHg
Molecular Weight 285.345 Flash Point 222.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 54117-37-2 (9-Benzyl-3-formylcarbazole) Hazard Symbols N/A
Synonyms

9-Benzyl-9H-carbazole-3-carbaldehyde;9-Benzylcarbazole-3-carboxaldehyde;

Article Data 11

9-Benzyl-3-formylcarbazole Specification

The 9-Benzyl-3-formylcarbazole, with the CAS registry number 54117-37-2, is also known as 9-Benzylcarbazole-3-carboxaldehyde. This chemical's molecular formula is C20H15NO and molecular weight is 285.34. What's more, its systematic name is 9-Benzyl-9H-carbazole-3-carbaldehyde and it belongs to the product categories of Carbazoles; Carbazoles (for Conduting Polymer Research); Functional Materials; Reagents for Conducting Polymer Research. The product should be sealed and stored in containers which are placed in cool and dry places. In addition, it should be ensured that the workshop is well ventilated or equipped with exhaust device.

Physical properties of 9-Benzyl-3-formylcarbazole are: (1)ACD/LogP: 5.19; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.19; (4)ACD/LogD (pH 7.4): 5.19; (5)ACD/BCF (pH 5.5): 5164.65; (6)ACD/BCF (pH 7.4): 5164.65; (7)ACD/KOC (pH 5.5): 15826.6; (8)ACD/KOC (pH 7.4): 15826.6; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 22 Å2; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 89.33 cm3; (15)Molar Volume: 248.5 cm3; (16)Polarizability: 35.41×10-24 cm3; (17)Surface Tension: 45.9 dyne/cm; (18)Density: 1.14 g/cm3; (19)Flash Point: 222.9 °C; (20)Enthalpy of Vaporization: 70.28 kJ/mol; (21)Boiling Point: 444.9 °C at 760 mmHg; (22)Vapour Pressure: 4.13E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc3cc2c1ccccc1n(c2cc3)Cc4ccccc4
(2)InChI: InChI=1S/C20H15NO/c22-14-16-10-11-20-18(12-16)17-8-4-5-9-19(17)21(20)13-15-6-2-1-3-7-15/h1-12,14H,13H2
(3)InChIKey: GSNXZYWQXATWRX-UHFFFAOYSA-N

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