1-METHYLANTHRACENE

The Anthracene, 1-methyl-, with the CAS registry number of 610-48-0, is also known as Methylanthracene. It belongs to the product categories of Arenes; Building Blocks; Organic Building Blocks. Its EINECS registry number is 210-224-2. This chemical's molecular formula is C₁₅H₁₂ and molecular weight is 192.26. What's more, its IUPAC name is  1-Methylanthracene. In addition, it must be stored in airtight containers and placed in a dry, ventilated place. Meanwhile, it should be avoided contact with light.

Physical properties about the Anthracene, 1-methyl- are: (1)ACD/LogP: 5.14; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.14; (4)ACD/LogD (pH 7.4): 5.14; (5)ACD/BCF (pH 5.5): 4744.77; (6)ACD/BCF (pH 7.4): 4744.77; (7)ACD/KOC (pH 5.5): 14894.57; (8)ACD/KOC (pH 7.4): 14894.57; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.693; (14)Molar Refractivity: 66.76 cm³; (15)Molar Volume: 173.9 cm³; (16)Surface Tension: 45.8 dyne/cm; (17)Density: 1.105 g/cm³; (18)Flash Point: 157.5 °C; (19)Enthalpy of Vaporization: 58.5 kJ/mol; (20)Boiling Point: 363 °C at 760 mmHg; (21)Vapour Pressure: 3.89E-05 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of 1-Chloro-2-methyl-benzene with Benzocyclobutenol. The reaction needs reagent Lithium 2,2,6,6-tetramethylpiperidide. The reaction time is 30 min. The yield is about 50 %.

Uses: it is used to produce other chemicals. For example, it is used to produce Trans-1-styrylanthracene. This reaction needs reagent Potassium tert-butylate. Meanwhile, it needs solvent Crown ether. The reaction time is 1 h with reaction temperature of 100 °C. The yield is about 35 %.

You can still convert the following datas into molecular structure:
(1) SMILES: c3cc2cc1cccc(c1cc2cc3)C
(2) InChI: InChI=1/C15H12/c1-11-5-4-8-14-9-12-6-2-3-7-13(12)10-15(11)14/h2-10H,1H3
(3) InChIKey: KZNJSFHJUQDYHE-UHFFFAOYAB