4-(3-NITRO-PHENYL)-THIAZOL-2-YLAMINE

The 2-Thiazolamine,4-(3-nitrophenyl)- is an organic compound with the formula C₉H₇N₃O₂S. The IUPAC name of this chemical is 4-(3-Nitrophenyl)-1,3-thiazol-2-amine. With the CAS registry number 57493-24-0, it is also named as 2-Amino-4-(3-nitrophenyl)-1,3-thiazole. The categories of the product are Amines; Thiazoles, Isothiazoles and Benzothiazoles. Besides, its molecular weight is 221.2358.

The physical properties of 2-Thiazolamine,4-(3-nitrophenyl)- are: (1)ACD/LogP: 1.67; (2)ACD/LogD (pH 5.5): 1.65; (3)ACD/LogD (pH 7.4): 1.67; (4)ACD/BCF (pH 5.5): 10.35; (5)ACD/BCF (pH 7.4): 10.89; (6)ACD/KOC (pH 5.5): 182.78; (7)ACD/KOC (pH 7.4): 192.22; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 90.19 Å²; (12)Index of Refraction: 1.692; (13)Molar Refractivity: 58.1 cm³; (14)Molar Volume: 151.5 cm³; (15)Polarizability: 23.03×10^-24 cm³; (16)Surface Tension: 70.5 dyne/cm; (17)Density: 1.459 g/cm³; (18)Flash Point: 224.2 °C; (19)Enthalpy of Vaporization: 70.55 kJ/mol; (20)Boiling Point: 447.2 °C at 760 mmHg; (21)Vapour Pressure: 3.44E-08 mmHg at 25 °C.

Uses of 2-Thiazolamine,4-(3-nitrophenyl)-: it can be used to produce 2-Chloro-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-acetamide at temperature of 80 °C. It will need solvent benzene with reaction time of 3 hours. The yield is about 80%.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2cc(c1nc(sc1)N)ccc2
(2)InChI: InChI=1/C9H7N3O2S/c10-9-11-8(5-15-9)6-2-1-3-7(4-6)12(13)14/h1-5H,(H2,10,11)
(3)InChIKey: CHBDOPARQRNCDM-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H7N3O2S/c10-9-11-8(5-15-9)6-2-1-3-7(4-6)12(13)14/h1-5H,(H2,10,11)
(5)Std. InChIKey: CHBDOPARQRNCDM-UHFFFAOYSA-N