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Benzo[h]cinnoline

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Name

Benzo[h]cinnoline

EINECS N/A
CAS No. 230-31-9 Density 1.25 g/cm3
PSA 25.78000 LogP 2.78300
Solubility N/A Melting Point N/A
Formula C12H8N2 Boiling Point 378.2 °C at 760 mmHg
Molecular Weight 180.209 Flash Point 180.379 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 230-31-9 (Benzo[h]cinnoline) Hazard Symbols N/A
Synonyms

3,4-Diazaphenanthrene;9,10-Phenanthroline;

Article Data 4

Benzo[h]cinnoline Specification

The Benzo[h]cinnoline, with the CAS registry number 230-31-9, is also known as 5,6-Diazaphenanthrene. This chemical's molecular formula is C12H8N2 and molecular weight is 180.2053. Its systematic name is called benzo[h]cinnoline.

Physical properties of Benzo[h]cinnoline: (1)ACD/LogP: 2.16; (2)ACD/LogD (pH 5.5): 2.16; (3)ACD/LogD (pH 7.4): 2.16; (4)ACD/BCF (pH 5.5): 25.75; (5)ACD/BCF (pH 7.4): 25.83; (6)ACD/KOC (pH 5.5): 355.67; (7)ACD/KOC (pH 7.4): 356.78; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.74; (10)Molar Refractivity: 58.12 cm3; (11)Molar Volume: 144.1 cm3; (12)Surface Tension: 61.2 dyne/cm; (13)Density: 1.25 g/cm3; (14)Flash Point: 180.4 °C; (15)Enthalpy of Vaporization: 60.15 kJ/mol; (16)Boiling Point: 378.2 °C at 760 mmHg; (17)Vapour Pressure: 1.39E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1nccc3c1c2ccccc2cc3
(2)InChI: InChI=1/C12H8N2/c1-2-4-11-9(3-1)5-6-10-7-8-13-14-12(10)11/h1-8H
(3)InChIKey: DMMLYDCVMZEUMT-UHFFFAOYAF

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