ETHYL 4-METHYLBENZIMIDATE HYDROCHLORIDE

The Benzenecarboximidicacid, 4-methyl-, ethyl ester, hydrochloride (1:1), with the CAS registry number 43002-64-8, is also known as Ethyl 4-methylbenzimidate hydrochloride. This chemical's molecular formula is C₁₀H₁₄ClNO and molecular weight is 199.68. What's more, its systematic name is Ethyl 4-methylbenzenecarboximidoate hydrochloride (1:1).

Physical properties about Benzenecarboximidicacid, 4-methyl-, ethyl ester, hydrochloride (1:1) are: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 34; (7)ACD/KOC (pH 5.5): 36; (8)ACD/KOC (pH 7.4): 414; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 33.08 Å²; (13)Flash Point: 106.5 °C; (14)Enthalpy of Vaporization: 49.97 kJ/mol; (15)Boiling Point: 252.4 °C at 760 mmHg; (16)Vapour Pressure: 0.0153 mmHg at 25 °C.

Preparation of Benzenecarboximidicacid, 4-methyl-, ethyl ester, hydrochloride (1:1): this chemical is prepared by reaction of 4-Methyl-benzonitrile with Ethanol. The reaction needs reagent HCl. This reaction needs two steps, the reaction conditions are 1.) 0 °C, 2.) 5 °C, 1-2 days. The yield is about 65 %.

Uses of Benzenecarboximidicacid, 4-methyl-, ethyl ester, hydrochloride (1:1): it is used to produce other chemicals. For example, it is used to produce 4-Methyl-N-(4-methylbenzoyl)benzimidsaeure-ethylester at ambient temperature. The reaction needs reagent Et₃N and solvent CH₂Cl₂. The reaction time is 20 hours. The yield is about 73 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.Cc1ccc(cc1)C(=N)OCC
(2) InChI: InChI=1/C10H13NO.ClH/c1-3-12-10(11)9-6-4-8(2)5-7-9;/h4-7,11H,3H2,1-2H3;1H
(3) InChIKey: ONMCFUITYHQMPX-UHFFFAOYAV