ALPHA-CHLORO-2-NITROACETANILIDE

The Acetamide,2-chloro-N-(2-nitrophenyl)-, with the CAS registry number 10147-70-3, is also known as N-Chloroacetyl-2-nitroaniline. This chemical's molecular formula is C₈H₇ClN₂O₃ and formula weight is 214.61. What's more, its IUPAC name is called 2-chloro-N-(2-nitrophenyl)acetamide.

Physical properties of Acetamide,2-chloro-N-(2-nitrophenyl)-: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.55; (4)ACD/LogD (pH 7.4): 1.55; (5)ACD/BCF (pH 5.5): 8.82; (6)ACD/BCF (pH 7.4): 8.82; (7)ACD/KOC (pH 5.5): 165.32; (8)ACD/KOC (pH 7.4): 165.31; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.63; (13)Molar Refractivity: 51.91 cm³; (14)Molar Volume: 145.7 cm³; (15)Surface Tension: 59.5 dyne/cm; (16)Density: 1.472 g/cm³; (17)Flash Point: 207.5 °C; (18)Enthalpy of Vaporization: 67.33 kJ/mol; (19)Boiling Point: 419.5 °C at 760 mmHg; (20)Vapour Pressure: 3.01E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-nitro-aniline and chloroacetyl chloride. This reaction will need reagent glacial acetic acid. The reaction time is 1.5 hours with reaction temperature of 0 - 20 ℃. The yield is about 45%.

Uses of Acetamide,2-chloro-N-(2-nitrophenyl)-: it can be used to produce 2-benzoimidazol-1-yl-N-(2-nitro-phenyl)-acetamide by heating. This reaction will need solvent methanol with reaction time of 8 hours. The yield is about 68%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)NC(=O)CCl)[N+](=O)[O-]
(2)InChI: InChI=1S/C8H7ClN2O3/c9-5-8(12)10-6-3-1-2-4-7(6)11(13)14/h1-4H,5H2,(H,10,12)
(3)InChIKey: XXWVCPLQFJVURO-UHFFFAOYSA-N