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39876-39-6

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Basic Information
CAS No.: 39876-39-6
Name: 8-FLUORO-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE
Article Data: 8
Molecular Structure:
Molecular Structure of 39876-39-6 (8-FLUORO-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE)
Formula: C11H11FN2
Molecular Weight: 190.22
Synonyms: 8-Fluoro-1,2,3,4-tetrahydropyrido[4,3-b]indole;8-Fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;
Density: 1.277 g/cm3
Melting Point: 214-216°C
Boiling Point: 355.1 °C at 760 mmHg
Flash Point: 168.5 °C
Hazard Symbols: IrritantXi
Risk Codes: 20/21/22
Safety: 22-36/37/39
PSA: 27.82000
LogP: 2.28150
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Specification

The 1H-Pyrido[4,3-b]indole,8-fluoro-2,3,4,5-tetrahydro-, with the CAS registry number 39876-39-6, is also known as 8-Fluoro-1H,2H,3H,4H,5H-Pyrido[4,3-B]Indole. This chemical's molecular formula is C11H11FN2 and molecular weight is 190.22. What's more, its systematic name is 8-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole. 

Physical properties of 1H-Pyrido[4,3-b]indole,8-fluoro-2,3,4,5-tetrahydro- are: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.71; (4)ACD/LogD (pH 7.4): -1.32; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 8.17 Å2; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 54.04 cm3; (15)Molar Volume: 148.9 cm3; (16)Polarizability: 21.42×10-24 cm3; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.277 g/cm3; (19)Flash Point: 168.5 °C; (20)Enthalpy of Vaporization: 60.02 kJ/mol; (21)Boiling Point: 355.1 °C at 760 mmHg; (22)Vapour Pressure: 3.21E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. When using it, you should not breath dust, and you also need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Fc2cc1c3c(nc1cc2)CCNC3
(2)InChI: InChI=1/C11H11FN2/c12-7-1-2-10-8(5-7)9-6-13-4-3-11(9)14-10/h1-2,5,13-14H,3-4,6H2
(3)InChIKey: MNWNSXZHWSTXTC-UHFFFAOYAT