1,3-Dimethylnaphthalene

The Naphthalene,1,3-dimethyl-, with the CAS registry number of 575-41-7, is also known as 1,3-Dimethyl-naphthalen. It belongs to the product categories of Naphthalene derivatives; Alpha Sort; Analytical Standards; AromaticsVolatiles/ Semivolatiles; Chemical Class; D; DAlphabetic; DID - DINAnalytical Standards; Hydrocarbons; NaphthalenesChemical Class; NeatsAnalytical Standards; Arenes; Building Blocks; Organic Building Blocks. Its EINECS registry number is 209-384-6. This chemical's molecular formula is C₁₂H₁₂ and molecular weight is 156.22. What's more, its IUPAC name is 1,3-Dimethylnaphthalene. This chemical's classification code is Mutation data. In addition, it must be stored in airtight containers and placed in a dry, cool place. You should not breathe the gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). And you should avoid contacting with skin and eyes.

Physical properties about the Naphthalene,1,3-dimethyl- are: (1)ACD/LogP: 4.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.37; (4)ACD/LogD (pH 7.4): 4.37; (5)ACD/BCF (pH 5.5): 1231.81; (6)ACD/BCF (pH 7.4): 1231.81; (7)ACD/KOC (pH 5.5): 5672.96; (8)ACD/KOC (pH 7.4): 5672.96; (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: 1.604; (14)Molar Refractivity: 53.74 cm³; (15)Molar Volume: 156 cm³; (16)Surface Tension: 37.5 dyne/cm; (17)Density: 1 g/cm³; (18)Flash Point: 109.4 °C; (19)Enthalpy of Vaporization: 48.13 kJ/mol; (20)Boiling Point: 263.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0165 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce 1,3-Bis-bromomethyl-naphthalene. This reaction needs reagent NBS. Meanwhile, it needs solvent CCl₄. The yield is about 76 %.

You can still convert the following datas into molecular structure:
(1) SMILES: c12ccccc1c(cc(c2)C)C
(2) InChI: InChI=1/C12H12/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h3-8H,1-2H3
(3) InChIKey: QHJMFSMPSZREIF-UHFFFAOYAE