-
Name
7-FLUORO-[1,8]NAPHTHYRIDIN-2-OL
- EINECS
- CAS No. 846033-37-2
- Article Data3
- CAS DataBase
- Density 1.373 g/cm3
- Solubility
- Melting Point 280-281 °C
- Formula C8H5FN2O
- Boiling Point 376.1 °C at 760 mmHg
- Molecular Weight 164.139
- Flash Point 181.3 °C
- Transport Information
- Appearance
- Safety 26-39
- Risk Codes 22-37/38-41
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms 7-Fluoro-[1,8]naphthyridin-2-ol;
- PSA 46.01000
- LogP 1.47450
1,8-Naphthyridin-2(1H)-one,7-fluoro- Specification
The 1,8-Naphthyridin-2(1H)-one,7-fluoro-, with the CAS registry number 846033-37-2, is also known as 7-Fluoro-[1,8]naphthyridin-2-ol. This chemical's molecular formula is C8H5FN2O and molecular weight is 164.14. What's more, its systematic name is called 7-Fluoro-1,8-naphthyridin-2(1H)-one. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 1,8-Naphthyridin-2(1H)-one,7-fluoro- are: (1) ACD/LogP: 0.66; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.66; (4) ACD/LogD (pH 7.4): 0.66; (5) ACD/BCF (pH 5.5): 1.88; (6) ACD/BCF (pH 7.4): 1.88; (7) ACD/KOC (pH 5.5): 54.71; (8) ACD/KOC (pH 7.4): 54.58; (9) #H bond acceptors: 3; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 0; (12) Polar Surface Area: 41.99 Å2; (13) Index of Refraction: 1.576; (14) Molar Refractivity: 39.59 cm3; (15) Molar Volume: 119.5 cm3; (16) Surface Tension: 49.1 dyne/cm; (17) Density: 1.373 g/cm3; (18) Flash Point: 181.3 °C; (19) Enthalpy of Vaporization: 62.38 kJ/mol; (20) Boiling Point: 376.1 °C at 760 mmHg; (21) Vapour Pressure: 7.4E-06 mmHg at 25 °C; (22) Melting Point: 280-281 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc2/C=C\C(=O)Nc2n1
(2) InChI: InChI=1/C8H5FN2O/c9-6-3-1-5-2-4-7(12)11-8(5)10-6/h1-4H,(H,10,11,12)
(3) InChIKey: FUBNBYAEJAJCBT-UHFFFAOYAP
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