2-ACETAMIDO-6-CHLOROBENZOIC ACID

The 2-Acetamido-6-chloro-benzoic acid, with the CAS registry number 19407-42-2, is also known as Benzoic acid, 2-(acetylamino)-6-chloro-. Its EINECS registry number is 243-040-6. This chemical's molecular formula is C₉H₈ClNO₃ and molecular weight is 213.61772 . Its IUPAC name is called 2-acetamido-6-chlorobenzoic acid.

Physical properties of 2-Acetamido-6-chloro-benzoic acid: (1)ACD/LogP: 2.15; (2)ACD/LogD (pH 5.5): -0.6; (3)ACD/LogD (pH 7.4): -0.99; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.63; (12)Molar Refractivity: 52.34 cm³; (13)Molar Volume: 146.9 cm³; (14)Surface Tension: 59.9 dyne/cm; (15)Density: 1.453 g/cm³; (16)Flash Point: 213.5 °C; (17)Enthalpy of Vaporization: 72.18 kJ/mol; (18)Boiling Point: 429.5 °C at 760 mmHg; (19)Vapour Pressure: 3.87E-08 mmHg at 25°C.

Uses of 2-Acetamido-6-chloro-benzoic acid: it can be used to produce methyl 2-acetamido-6-chlorobenzoate. This reaction will need solvent diethyl ether with reaction time of 30 min. The yield is about 74%.

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.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)NC1=C(C(=CC=C1)Cl)C(=O)O
(2)InChI: InChI=1S/C9H8ClNO3/c1-5(12)11-7-4-2-3-6(10)8(7)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
(3)InChIKey: VFHSJTHAMJFUCK-UHFFFAOYSA-N