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25823-50-1

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Basic Information
CAS No.: 25823-50-1
Name: 3-CHLORO-5,6-DIHYDRO-BENZO[H]CINNOLINE
Article Data: 4
Molecular Structure:
Molecular Structure of 25823-50-1 (3-CHLORO-5,6-DIHYDRO-BENZO[H]CINNOLINE)
Formula: C12H9ClN2
Molecular Weight: 216.67
Synonyms: 3-Chloro-5,6-dihydrobenzo[h]cinnoline;
Density: 1.317 g/cm3
Melting Point: 155-156 °C(Solv: ethanol (64-17-5))
Boiling Point: 431.6 °C at 760 mmHg
Flash Point: 247.4 °C
Hazard Symbols: IrritantXi
PSA: 25.78000
LogP: 2.89560
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Specification

The CAS registry number of Benzo[h]cinnoline,3-chloro-5,6-dihydro- is 25823-50-1. This chemical's molecular formula is C12H9ClN2 and molecular weight is 216.67. What's more, its systematic name is called 3-Chloro-5,6-dihydrobenzo[h]cinnoline.

Physical properties about this chemical are: (1)ACD/LogP: 2.92; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.92; (4)ACD/LogD (pH 7.4): 2.92; (5)ACD/BCF (pH 5.5): 97.97; (6)ACD/BCF (pH 7.4): 97.97; (7)ACD/KOC (pH 5.5): 926.47; (8)ACD/KOC (pH 7.4): 926.48; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 59.48 cm3; (15)Molar Volume: 164.4 cm3; (16)Polarizability: 23.58×10-24 cm3; (17)Surface Tension: 56.5 dyne/cm; (18)Density: 1.317 g/cm3; (19)Flash Point: 247.4 °C; (20)Enthalpy of Vaporization: 66.07 kJ/mol; (21)Boiling Point: 431.6 °C at 760 mmHg; (22)Vapour Pressure: 2.98E-07 mmHg at 25 °C.

Preparation of Benzo[h]cinnoline,3-chloro-5,6-dihydro-: this chemical can be prepared by 5,6-Dihydro-2H-benzo[h]cinnolin-3-one.

Benzo[h]cinnoline,3-chloro-5,6-dihydro- can be prepared by 5,6-Dihydro-2H-benzo[h]cinnolin-3-one

This reaction needs reagent POCl3 at temperature of 60 to 70 °C. The yield is 55 %.

Uses of Benzo[h]cinnoline,3-chloro-5,6-dihydro-: it is used to produce other chemicals. For example, it is used to produce 5,6-Dihydrobenzo[h]cinnolin.

Benzo[h]cinnoline,3-chloro-5,6-dihydro- is used to produce 5,6-Dihydrobenzo[h]cinnolin

The reaction needs reagents H2, MgO and solvent Ethanol. This reaction will occur at ambient temperature. The yield is 45 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc3nnc2c1ccccc1CCc2c3
(2) InChI: InChI=1/C12H9ClN2/c13-11-7-9-6-5-8-3-1-2-4-10(8)12(9)15-14-11/h1-4,7H,5-6H2
(3) InChIKey: AWCLLRQTVFHVBY-UHFFFAOYAS