Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-Naphthalenecarbonitrile,4-fluoro- |
EINECS | N/A |
CAS No. | 13916-99-9 | Density | 1.22g/cm3 |
PSA | 23.79000 | LogP | 2.85058 |
Solubility | N/A | Melting Point |
89-91°C |
Formula | C11H6FN | Boiling Point | 314.9 °C at 760 mmHg |
Molecular Weight | 171.174 | Flash Point | 156.3 °C |
Transport Information | UN 3439 | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 20/21/22 |
Molecular Structure | Hazard Symbols | T | |
Synonyms |
1-Naphthonitrile,4-fluoro- (8CI);1-Cyano-4-fluoronaphthalene;1-Fluoro-4-cyanonaphthalene;4-Fluoro-1-naphthalenecarbonitrile;4-Fluoro-1-naphthonitrile; |
Article Data | 5 |
The 1-Naphthalenecarbonitrile,4-fluoro-, with CAS registry number 13916-99-9, has the systematic name of 4-fluoronaphthalene-1-carbonitrile. Besides this, it is also called 1-Cyano-4-fluoronaphthalene. This chemical is instability under normal temperature and pressure conditions. And the chemical formula of this chemical is C11H6FN.
Physical properties of 1-Naphthalenecarbonitrile,4-fluoro-: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.93; (4)ACD/LogD (pH 7.4): 2.93; (5)ACD/BCF (pH 5.5): 98.81; (6)ACD/BCF (pH 7.4): 98.81; (7)ACD/KOC (pH 5.5): 932.16; (8)ACD/KOC (pH 7.4): 932.16; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 48.98 cm3; (15)Molar Volume: 139.1 cm3; (16)Polarizability: 19.42×10-24cm3; (17)Surface Tension: 47.4 dyne/cm; (18)Density: 1.22 g/cm3; (19)Flash Point: 156.3 °C; (20)Enthalpy of Vaporization: 55.61 kJ/mol; (21)Boiling Point: 314.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000452 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 1-Naphthalenecarbonitrile,4-fluoro- is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2c1ccccc1c(F)cc2
(2)InChI: InChI=1/C11H6FN/c12-11-6-5-8(7-13)9-3-1-2-4-10(9)11/h1-6H
(3)InChIKey: XQSGYYNFKIQWAC-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C11H6FN/c12-11-6-5-8(7-13)9-3-1-2-4-10(9)11/h1-6H
(5)Std. InChIKey: XQSGYYNFKIQWAC-UHFFFAOYSA-N