2'-AMINOACETANILIDE

The Acetamide, N-(2-aminophenyl)-, with the CAS registry number of 34801-09-7, is also known as 2-Aminoacetanilide and o-Aminoacetanilide. It belongs to the product categories of Amineprimary; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzenes; Nitrogen Compounds; Organic Building Blocks; Protected Amines. This chemical's molecular formula is C₈H₁₀N₂O and molecular weight is 150.18. What's more, its IUPAC name is N-(2-Aminophenyl)acetamide. In addition, it must be stored in airtight containers and placed in a dry, cool, place. Meanwhile, it should avoid contact with oxidant. Besides, ensure the work place is well-ventilated.

Physical properties about Acetamide, N-(2-aminophenyl)-are: (1)ACD/LogP: 0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.11; (4)ACD/LogD (pH 7.4): 0.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26.77; (8)ACD/KOC (pH 7.4): 27.97; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 44.76 cm³; (15)Molar Volume: 124.7 cm³; (16)Polarizability: 17.74×10^-24 cm³; (17)Surface Tension: 53 dyne/cm; (18)Density: 1.203 g/cm³; (19)Flash Point: 172.4 °C; (20)Enthalpy of Vaporization: 60.74 kJ/mol; (21)Boiling Point: 361.5 °C at 760 mmHg; (22)Vapour Pressure: 2.06E-05 mmHg at 25 °C; (23)Melting Point: 133-137 °C(lit. ).

Preparation: this chemical is prepared by N-(2-Nitro-phenyl)-acetamide. This reaction needs reagents NH₄Cl and Raney nickel. Meanwhile, it needs solvent H₂O. The reaction time is 2.1 hours with reaction temperature of 80-90 °C. The yield is about 91 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 2-Methyl-1H-benzoimidazole at heating. The reaction needs reagent AcOH and solvent Xylene. The yield is about 97 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of 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(Nc1ccccc1N)C
(2) InChI: InChI=1/C8H10N2O/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,9H2,1H3,(H,10,11)
(3) InChIKey: MPXAYYWSDIKNTP-UHFFFAOYAP