5-Acetylsalicylamide

The CAS register number of 5-Acetylsalicylamide is 40187-51-7. The IUPAC name is 5-acetyl-2-hydroxybenzamide. In addition, the molecular formula is C₉H₉NO₃ and the molecular weight is 179.17. It also can be called as benzamide, 5-acetyl-2-hydroxy-. What's more, it belongs to the classes of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. Besides, it should be stored in sealed container, and put them in a cool and dry place.

Physical properties about 5-Acetylsalicylamide are: (1)ACD/LogP: 1.63; (2)ACD/LogD (pH 5.5): 1.58; (3)ACD/LogD (pH 7.4): 0.63; (4)ACD/BCF (pH 5.5): 9.15; (5)ACD/BCF (pH 7.4): 1.01; (6)ACD/KOC (pH 5.5): 164.52; (7)ACD/KOC (pH 7.4): 18.22; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 46.61Ų; (12)Index of Refraction: 1.597; (13)Molar Refractivity: 47.09 cm³; (14)Molar Volume: 138 cm³; (15)Polarizability: 18.66x10^-24cm³; (16)Surface Tension: 58.4 dyne/cm; (18)Density: 1.297 g/cm³; (19)Flash Point: 181.4 °C; (19)Enthalpy of Vaporization: 64.84 kJ/mol; (20)Boiling Point: 376.3 °C at 760 mmHg; (21)Vapour Pressure: 3.38E-06 mmHg at 25°C.

Uses of 5-Acetylsalicylamide: this chemical can be used as pharmaceutical intermediates. In addition, it can be used to produce 6-acetyl-2,2-dimethyl-2,3-dihydro-benzo[e][1,3]oxazin-4-one with 2,2-dimethoxy-propane. This reaction will need reagent p-TsOH*H₂O and solvent acetone. The yield is about 36% by heating.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. 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(c1cc(ccc1O)C(=O)C)N
(2)InChI: InChI=1/C9H9NO3/c1-5(11)6-2-3-8(12)7(4-6)9(10)13/h2-4,12H,1H3,(H2,10,13)
(3)InChIKey: LWAQTCWTCCNHJR-UHFFFAOYAA

The toxicity data is as follows: