N-METHYLANTHRANILIC ACID

Reported in EPA TSCA Inventory.

The N-Methylanthranilic acid, with the CAS registry number 119-68-6, is also known as o-N-Methylaminobenzoic acid. It belongs to the product categories of Carboxylicacid; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. Its EINECS number is 204-343-9. This chemical's molecular formula is C₈H₉NO₂ and molecular weight is 151.16. What's more, its systematic name is 2-(Methylamino)benzoic acid. Its classification code is Skin / Eye Irritant. It should be sealed and stored in a cool and ventilated place. Moreover, it should be protected from oxides, water and fire.

Physical properties of N-Methylanthranilic acid are: (1)ACD/LogP: 2.101; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.40; (4)ACD/LogD (pH 7.4): -0.90; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 6.51; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.33 Å²; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 42.792 cm³; (15)Molar Volume: 121.419 cm³; (16)Polarizability: 16.964×10^-24cm³; (17)Surface Tension: 53.44 dyne/cm; (18)Density: 1.245 g/cm³; (19)Flash Point: 142.839 °C; (20)Enthalpy of Vaporization: 58.448 kJ/mol; (21)Boiling Point: 312.572 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by iodomethane and 2-amino-benzoic acid by heating. This reaction will need reagent K₂CO₃ and solvent H₂O with the reaction time of 2 hours. The yield is about 66%.

Uses of N-Methylanthranilic acid: it can be used to produce N-methyl-N-(2-nitro-benzoyl)-anthranilic acid at the ambient temperature. It will need reagent KOH and solvents H₂O, benzene with the reaction time of 5 min. The yield is about 75%.

When you are using this chemical, please be cautious about it as the following:
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. When using it, you need to wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccccc1NC
(2)Std. InChI: InChI=1S/C8H9NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h2-5,9H,1H3,(H,10,11)
(3)Std. InChIKey: WVMBPWMAQDVZCM-UHFFFAOYSA-N