Benzocaine hydrochloride 98% supplier in China CAS NO.23239-88-5

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1. Introduction of Benzocaine hydrochloride

The Benzocaine hydrochloride (CAS number: 23239-88-5), is also known as Benzoic acid, 4-amino-,ethyl ester, hydrochloride (1:1). This chemical's molecular formula is C₉H₁₁NO₂·ClH and molecular weight is 201.65. What's more, both its IUPAC name and systematic name are the same which is called Ethyl 4-aminobenzoate hydrochloride.

2. Basic Information of Benzocaine hydrochloride

1) Properties of Benzocaine hydrochloride

Physical properties about Benzoic acid, 4-amino-,ethyl ester, hydrochloride (1:1) are: (1)ACD/LogP: 1.945; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 17.70; (6)ACD/BCF (pH 7.4): 17.72; (7)ACD/KOC (pH 5.5): 272.13; (8)ACD/KOC (pH 7.4): 272.41; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54  2; (13)Flash Point: 164.2 °C; (14)Enthalpy of Vaporization: 55.16 kJ/mol; (15)Boiling Point: 310.7 °C at 760 mmHg; (16)Vapour Pressure: 0.000589 mmHg at 25 °C.

2) Descriptors of Structure

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1ccc(N)cc1.Cl
(2) InChI: InChI=1S/C9H11NO2.ClH/c1-2-12-9(11)7-3-5-8(10)6-4-7;/h3-6H,2,10H2,1H3;1H
(3) InChIKey: JAADDQHUJDUAKW-UHFFFAOYSA-N

3) Preparation of Benzocaine hydrochloride

Benzocaine hydrochloride can be prepared by 4-amino-benzoic acid with ethanol. The reaction occurs with reagent SOCl₂ and other condition of heating for 6 hours. The yield is 85 %.

4) uses of Benzocaine hydrochloride

Benzocaine hydrochloride is used to produce other chemicals. For example, it can react with oxazolidin-2-one to get 4-(2-amino-ethylamino)-benzoic acid ethyl ester. This reaction needs various solvents at temperature of 160-170 °C. The yield is 61 %.