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CAS No.: | 731-90-8 |
---|---|
Name: | 1-((PHENYLIMINO)METHYL)NAPHTHALEN-2-OL |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C17H13NO |
Molecular Weight: | 247.296 |
Synonyms: | 1-[(Phenylamino)methylidene]naphthalen-2(1H)-one; |
Density: | 1.297 g/cm3 |
Boiling Point: | 458.2 °C at 760 mmHg |
Flash Point: | 183 °C |
PSA: | 32.59000 |
LogP: | 4.29600 |
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The 1-(Anilinomethylidene)naphthalen-2-one, with the CAS registry number 731-90-8, is also known as 1-[(Phenylamino)methylidene]naphthalen-2(1H)-one. This chemical's molecular formula is C17H13NO and molecular weight is 247.29. What's more, its IUPAC name is 1-(Anilinomethylidene)naphthalen-2-one.
Physical properties about 1-(Anilinomethylidene)naphthalen-2-one are: (1)ACD/LogP: 4.22; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 20.31 Å2; (7)Index of Refraction: 1.757; (8)Molar Refractivity: 78.2 cm3; (9)Molar Volume: 190.6 cm3; (10)Polarizability: 31×10-24 cm3; (11)Surface Tension: 70 dyne/cm; (12)Density: 1.297 g/cm3; (13)Flash Point: 183 °C; (14)Enthalpy of Vaporization: 71.85 kJ/mol; (15)Boiling Point: 458.2 °C at 760 mmHg; (16)Vapour Pressure: 1.4E-08 mmHg at 25 °C.
Uses of 1-(Anilinomethylidene)naphthalen-2-one: it is used to produce other chemicals. For example, it is used to produce 1-Anilinomethyl-[2]naphthol. The reaction needs reagent Sodium borohydride and solvent Methanol. This reaction needs two steps, the reaction conditions are 1) ice-cooling, 3 h; 2) room temperature, 24 h. The yield is about 83 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C/2C(c1c(cccc1)\C=C\2)=CNc3ccccc3
(2) InChI: InChI=1S/C17H13NO/c19-17-11-10-13-6-4-5-9-15(13)16(17)12-18-14-7-2-1-3-8-14/h1-12,18H
(3) InChIKey: CWCYUNGEXLJKIK-UHFFFAOYSA-N