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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 Molecular Structure of 13916-99-9 (1-CYANO-4-FLUORONAPHTHALENE) Hazard Symbols ToxicT

1-Naphthonitrile,4-fluoro- (8CI);1-Cyano-4-fluoronaphthalene;1-Fluoro-4-cyanonaphthalene;4-Fluoro-1-naphthalenecarbonitrile;4-Fluoro-1-naphthonitrile;

Article Data 5

1-Naphthalenecarbonitrile,4-fluoro- Specification

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
(4)Std. InChI: InChI=1S/C11H6FN/c12-11-6-5-8(7-13)9-3-1-2-4-10(9)11/h1-6H

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