4-ETHYLBENZAMIDE

The Benzamide, 4-ethyl-, with CAS registry number 33695-58-8, belongs to the following product categories: (1)Amide; (2)Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. It has the systematic name of 4-ethylbenzamide. And the chemical formula of this chemical is C₉H₁₁NO.

Physical properties of Benzamide, 4-ethyl-: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.73; (4)ACD/LogD (pH 7.4): 1.73; (5)ACD/BCF (pH 5.5): 12.2; (6)ACD/BCF (pH 7.4): 12.2; (7)ACD/KOC (pH 5.5): 208.54; (8)ACD/KOC (pH 7.4): 208.54; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 44.73 cm³; (15)Molar Volume: 140.9 cm³; (16)Polarizability: 17.73×10^-24cm³; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.058 g/cm³; (19)Flash Point: 123.6 °C; (20)Enthalpy of Vaporization: 51.96 kJ/mol; (21)Boiling Point: 280.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0037 mmHg at 25°C.

Preparation: this chemical can be prepared by isocyanato-trimethyl-silane and ethylbenzene. This reaction will need reagents AlCl₃, HCl (gas). The reaction time is 1 hour(s) with reaction temperature of 20 ℃. The yield is about 82%.

When you are using this chemical, please be cautious about it as the following:
The Benzamide, 4-ethyl- irritates to eyes, respiratory system and skin. And this chemical is harmful if swallowed. You should avoid contact with skin and eyes. 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: O=C(c1ccc(cc1)CC)N
(2)InChI: InChI=1/C9H11NO/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H2,10,11)
(3)InChIKey: YKFAFWKDOSYQIP-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C9H11NO/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H2,10,11)
(5)Std. InChIKey: YKFAFWKDOSYQIP-UHFFFAOYSA-N