2,3-Dicyanonaphthalene

The 2,3-Dicyanonaphthalene, with the CAS registry number 22856-30-0, is also known as 2,3-Naphthalenedicarbonitrile. It belongs to the product categories of Functional Materials; Naphthalonitriles (Building Blocks for Naphthalocyanines); Phthalonitriles & Naphthalonitriles; N; Stains and Dyes; Stains&Dyes, A to. This chemical's molecular formula is C₁₂H₆N₂ and molecular weight is 178.19. Its IUPAC name is called naphthalene-2,3-dicarbonitrile. This chemical is beige fluffy powder.

Physical properties of 2,3-Dicyanonaphthalene: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.3; (4)ACD/LogD (pH 7.4): 2.3; (5)ACD/BCF (pH 5.5): 33.08; (6)ACD/BCF (pH 7.4): 33.08; (7)ACD/KOC (pH 5.5): 425.95; (8)ACD/KOC (pH 7.4): 425.95; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.663; (13)Molar Refractivity: 53.44 cm³; (14)Molar Volume: 144.2 cm³; (15)Surface Tension: 62.5 dyne/cm; (16)Density: 1.23 g/cm³; (17)Flash Point: 213.4 °C; (18)Enthalpy of Vaporization: 66.73 kJ/mol; (19)Boiling Point: 414.4 °C at 760 mmHg; (20)Vapour Pressure: 4.46E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by fumaronitrile and 1,2-bis-dibromomethyl-benzene. This reaction will need reagent NaI and solvent dimethylformamide. The reaction time is 48 hours with reaction temperature of 65 ℃. The yield is about 66%.

Uses of 2,3-Dicyanonaphthalene: it can be used to produce 1,3-diiminobenz(f)isoindoline. This reaction will need reagent sodium methoξde, NH₃ and solvent methanol with reaction time of 45 min. The yield is about 82%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health and may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. In addition, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please w ear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C=C(C(=CC2=C1)C#N)C#N
(2)InChI: InChI=1S/C12H6N2/c13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14/h1-6H
(3)InChIKey: KNBYJRSSFXTESR-UHFFFAOYSA-N