2,4-DIMETHOXY-6-METHYLBENZONITRILE

The CAS registry number of Benzonitrile, 2,4-dimethoxy-6-methyl- is 319921-60-3. It belongs to the product categories of C10 to C27; Cyanides/Nitriles; Nitrogen Compounds. This chemical's molecular formula is C₁₀H₁₁NO₂ and molecular weight is 177.19984. What's more, its systematic name is called 2,4-Dimethoxy-6-methylbenzonitrile.

Physical properties about Benzonitrile, 2,4-dimethoxy-6-methyl- are: (1)ACD/LogP: 3.30; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 41; (6)ACD/BCF (pH 7.4): 41; (7)ACD/KOC (pH 5.5): 496; (8)ACD/KOC (pH 7.4): 496; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.25Ų; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 48.673 cm³; (15)Molar Volume: 160.936 cm³; (16)Polarizability: 19.296×10^-24 cm³; (17)Surface Tension: 41.522 dyne/cm; (18)Density: 1.101 g/cm³; (19)Flash Point: 130.723 °C; (20)Enthalpy of Vaporization: 56.541 kJ/mol; (21)Boiling Point: 323.468 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. It may cause inflammation to the skin or other mucous membranes. In addition, in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1c(cc(OC)cc1OC)C
(2) InChI: InChI=1/C10H11NO2/c1-7-4-8(12-2)5-10(13-3)9(7)6-11/h4-5H,1-3H3
(3) InChIKey: SGXRDFSVDJBEAU-UHFFFAOYAT