Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-Naphthalenecarbonitrile,6-methoxy- |
EINECS | N/A |
CAS No. | 77029-01-7 | Density | 1.16 g/cm3 |
PSA | 33.02000 | LogP | 2.72008 |
Solubility | N/A | Melting Point |
79 °C |
Formula | C12H9NO | Boiling Point | 348.2 °C at 760 mmHg |
Molecular Weight | 183.21 | Flash Point | 146.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Naphthonitrile,6-methoxy- (4CI);5-Cyano-2-methoxynaphthalene;6-Methoxy-1-cyanonaphthalene;6-Methoxy-1-naphthalenecarbonitrile; |
Article Data | 9 |
The 1-Naphthalenecarbonitrile,6-methoxy- is an organic compound with the formula C12H9NO. With the CAS registry number 77029-01-7, the systematic name of this chemical is 6-methoxynaphthalene-1-carbonitrile.
Physical properties about 1-Naphthalenecarbonitrile,6-methoxy- are: (1)ACD/LogP: 2.80; (2)ACD/LogD (pH 5.5): 2.8; (3)ACD/LogD (pH 7.4): 2.8; (4)ACD/BCF (pH 5.5): 79.21; (5)ACD/BCF (pH 7.4): 79.21; (6)ACD/KOC (pH 5.5): 795.72; (7)ACD/KOC (pH 7.4): 795.72; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 33.02 Å2; (11)Index of Refraction: 1.622; (12)Molar Refractivity: 55.24 cm3; (13)Molar Volume: 156.6 cm3; (14)Polarizability: 21.89×10-24cm3; (15)Surface Tension: 49.9 dyne/cm; (16)Density: 1.16 g/cm3; (17)Flash Point: 146.9 °C; (18)Enthalpy of Vaporization: 59.26 kJ/mol; (19)Boiling Point: 348.2 °C at 760 mmHg; (20)Vapour Pressure: 5.11E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cccc2c1ccc(OC)c2
(2)InChI: InChI=1/C12H9NO/c1-14-11-5-6-12-9(7-11)3-2-4-10(12)8-13/h2-7H,1H3
(3)InChIKey: PGQFNNJLLVRLLW-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C12H9NO/c1-14-11-5-6-12-9(7-11)3-2-4-10(12)8-13/h2-7H,1H3
(5)Std. InChIKey: PGQFNNJLLVRLLW-UHFFFAOYSA-N