This chemical is called Methyl 4,5-dimethoxyanthranilate, and its CAS registry number is 26759-46-6. With the molecular formula of C10H13NO4, its product categories are Fine Chemical and Intermediates; Aromatic Esters; Organic acids. In addition, this chemical should be sealed in the cool and dry place, away from oxides.
Other characteristics of the Methyl 4,5-dimethoxyanthranilate can be summarised as followings: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.29; (6)ACD/BCF (pH 7.4): 13.3; (7)ACD/KOC (pH 5.5): 221.67; (8)ACD/KOC (pH 7.4): 221.84; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 48 Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 55.61 cm3; (15)Molar Volume: 177.6 cm3; (16)Polarizability: 22.04×10-24cm3; (17)Surface Tension: 41.6 dyne/cm; (18)Density: 1.189 g/cm3; (19)Flash Point: 166.2 °C; (20)Enthalpy of Vaporization: 58.7 kJ/mol; (21)Boiling Point: 343.1 °C at 760 mmHg; (22)Vapour Pressure: 7.19E-05 mmHg at 25°C.
Production method of this chemical: The Methyl 4,5-dimethoxyanthranilate could be obtained by the reactant of 4,5-dimethoxy-2-nitro-benzoic acid methyl ester. This reaction needs the reagent of SnCl2, HCl.
Uses of this chemical: The Methyl 4,5-dimethoxyanthranilate could react with benzoyl isothiocyanate, and obtain the 2-(3-benzoyl-thioureido)-4,5-dimethoxybenzoic acid methylester. This reaction needs the reagent of acetone. The yield is 74 %.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting 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(OC)c1c(cc(OC)c(OC)c1)N
2.InChI: InChI=1/C10H13NO4/c1-13-8-4-6(10(12)15-3)7(11)5-9(8)14-2/h4-5H,11H2,1-3H3
3.InChIKey: QQFHCCQSCQBKBG-UHFFFAOYAB
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