METHYL HYDROGEN PHTHALATE

This chemical is called 1,2-Benzenedicarboxylicacid, 1-methyl ester, and it's also named as Methyl hydrogen phthalate. With the molecular formula of C₉H₈O₄, its molecular weight is 180.1574. The CAS registry number of this chemical is 4376-18-5. Additionally, its product categories are Silicon Compounds; Esters; Phenyls & Phenyl-Het. However, this chemical should be stored in the dry and ventilated place.

Other characteristics of the 1,2-Benzenedicarboxylicacid, 1-methyl ester can be summarised as followings: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.01; (4)ACD/LogD (pH 7.4): -1.97; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 44.95 cm³; (15)Molar Volume: 139.8 cm³; (16)Polarizability: 17.82×10^-24cm³; (17)Surface Tension: 51.2 dyne/cm; (18)Density: 1.288 g/cm³; (19)Flash Point: 134.7 °C; (20)Enthalpy of Vaporization: 60.31 kJ/mol; (21)Boiling Point: 328.9 °C at 760 mmHg; (22)Vapour Pressure: 7.39E-05 mmHg at 25°C.

Production method of this chemical: The 1,2-Benzenedicarboxylicacid, 1-methyl ester could be obtained by the reactants of phthalic acid anhydride and methanol. This reaction needs the reagent of KCN. In addition, this reaction should be taken for 2 hours with the heating.

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)c1ccccc1C(=O)O
2.InChI: InChI=1/C9H8O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H,10,11)
3.InChIKey: FNJSWIPFHMKRAT-UHFFFAOYAZ