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The Ethanone,1-(4-amino-3,5-dichlorophenyl)-, with the CAS registry number 37148-48-4 and EINECS registry number 253-368-1, has the systematic name of 1-(4-amino-3,5-dichlorophenyl)ethanone. It is a kind of white to light yellow crystal powder, and belongs to the product categories: Aromatic Acetophenones & Derivatives (substituted); (Intermediate of leflunomide); Chemical Amines; Amines; Aromatics. And the molecular formula of the chemical is C8H7Cl2NO.
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The characteristics of Ethanone,1-(4-amino-3,5-dichlorophenyl)- are as followings: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.87; (4)ACD/LogD (pH 7.4): 2.87; (5)ACD/BCF (pH 5.5): 89.2; (6)ACD/BCF (pH 7.4): 89.2; (7)ACD/KOC (pH 5.5): 866.33; (8)ACD/KOC (pH 7.4): 866.33; (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: 1.599; (14)Molar Refractivity: 50.3 cm3; (15)Molar Volume: 147.1 cm3; (16)Polarizability: 19.94×10-24cm3; (17)Surface Tension: 49.3 dyne/cm; (18)Density: 1.386 g/cm3; (19)Flash Point: 166.4 °C; (20)Enthalpy of Vaporization: 59.62 kJ/mol; (21)Boiling Point: 351.5 °C at 760 mmHg; (22)Vapour Pressure: 4.1E-05 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(cc(Cl)c1N)C(=O)C
(2)InChI: InChI=1/C8H7Cl2NO/c1-4(12)5-2-6(9)8(11)7(10)3-5/h2-3H,11H2,1H3
(3)InChIKey: JLPKZJDZXIKSCP-UHFFFAOYAO
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