4(1H)-Cinnolinone supplier | CasNO.18514-84-6

Name
1H-CINNOLIN-4-ONE
EINECS
CAS No. 18514-84-6
Article Data11
CAS DataBase
Density 1.31 g/cm³
Solubility
Melting Point
Formula C₈H₆N₂O
Boiling Point 303.5 °C at 760 mmHg
Molecular Weight 146.148
Flash Point 137.3 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 1H-Cinnolin-4-one;1,4-Dihydro-4-cinnolinone;[1,8]Naphthyridin-4-ol;
PSA 45.75000
LogP 0.92310

4(1H)-Cinnolinone Specification

The CAS register number of 4(1H)-Cinnolinone is 18514-84-6. It also can be called as 1H-Cinnolin-4-one and the systematic name about this chemical is cinnolin-4(1H)-one. The molecular formula about this chemical is C₈H₆N₂O and the molecular weight is 146.14604.

Physical properties about 4(1H)-Cinnolinone are: (1)ACD/LogP: 0.82; (2)ACD/LogD (pH 5.5): -1.8; (3)ACD/LogD (pH 7.4): -1.82; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 32.67 Å²; (11)Index of Refraction: 1.666; (12)Molar Refractivity: 41.27 cm³; (13)Molar Volume: 110.8 cm³; (14)Polarizability: 16.36x10^-24cm³; (15)Surface Tension: 52.7 dyne/cm; (16)Density: 1.31 g/cm³; (17)Flash Point: 137.3 °C; (18)Enthalpy of Vaporization: 54.38 kJ/mol; (19)Boiling Point: 303.5 °C at 760 mmHg; (20)Vapour Pressure: 0.000928 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\2c1c(cccc1)N/N=C/2
(2)InChI: InChI=1/C8H6N2O/c11-8-5-9-10-7-4-2-1-3-6(7)8/h1-5H,(H,10,11)
(3)InChIKey: UFMBERDMCRCVSM-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C8H6N2O/c11-8-5-9-10-7-4-2-1-3-6(7)8/h1-5H,(H,10,11)
(5)Std. InChIKey: UFMBERDMCRCVSM-UHFFFAOYSA-N

Product Name

1H-CINNOLIN-4-ONE

4(1H)-Cinnolinone Specification

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