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24190-77-0

Basic Information
CAS No.: 24190-77-0
Name: 4-Acetylamino-5-Chloro-2-Hydroxybenzoic Acid Methyl Ester
Article Data: 11
Molecular Structure:
Molecular Structure of 24190-77-0 (4-Acetylamino-5-Chloro-2-Hydroxybenzoic Acid Methyl Ester)
Formula: C10H10ClNO4
Molecular Weight: 243.647
Synonyms: Salicylicacid, 4-acetamido-5-chloro-, methyl ester (8CI);Methyl2-hydroxy-4-acetamido-5-chlorobenzoate;Methyl 4-acetamido-5-chlorosalicylate;Methyl 4-acetylamino-5-chloro-2-hydroxybenzoate;4-acetylamino-5-chloro-2-methoxybenzoate;
EINECS: 246-857-6
Density: 1.426 g/cm3
Melting Point: 145-146℃
Boiling Point: 428.2 °C at 760 mmHg
Flash Point: 212.7 °C
PSA: 75.63000
LogP: 1.86360
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Specification

The Benzoicacid, 4-(acetylamino)-5-chloro-2-hydroxy-, methyl ester is an organic compound with the formula C10H10ClNO4. The systematic name of this chemical is methyl 4-(acetylamino)-5-chloro-2-hydroxybenzoate. With the CAS registry number 24190-77-0, it is also named as 4-Acetylamino-5-chloro-2-hydroxybenzoicacidmethylester.

Physical properties about Benzoicacid, 4-(acetylamino)-5-chloro-2-hydroxy-, methyl ester are: (1)ACD/LogP: 2.82; (2)ACD/LogD (pH 5.5): 2.82; (3)ACD/LogD (pH 7.4): 2.81; (4)ACD/BCF (pH 5.5): 81.66; (5)ACD/BCF (pH 7.4): 79.85; (6)ACD/KOC (pH 5.5): 813.22; (7)ACD/KOC (pH 7.4): 795.12; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 75.63 Å2; (12)Index of Refraction: 1.608; (13)Molar Refractivity: 59.07 cm3; (14)Molar Volume: 170.7 cm3; (15)Polarizability: 23.41×10-24cm3; (16)Surface Tension: 55.7 dyne/cm; (17)Density: 1.426 g/cm3; (18)Flash Point: 212.7 °C; (19)Enthalpy of Vaporization: 70.97 kJ/mol; (20)Boiling Point: 428.2 °C at 760 mmHg; (21)Vapour Pressure: 6.21E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-acetylamino-2-hydroxy-benzoic acid methyl ester. This reaction will need reagent SO2Cl2 and solvent CHCl3. The reaction time is 3 hours with reaction temperature of 25 °C. The yield is about 80%.



Uses of Benzoicacid, 4-(acetylamino)-5-chloro-2-hydroxy-, methyl ester: it can be used to produce 4-acetylamino-5-chloro-2-hydroxy-3-iodo-benzoic acid methyl ester at temperature of 10 °C. It will need reagent NaI, chloramine-T and solvent dimethylformamide with reaction time of 1 hour. The yield is about 77%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c(O)cc1NC(C)=O)C(=O)OC
(2)InChI: InChI=1/C10H10ClNO4/c1-5(13)12-8-4-9(14)6(3-7(8)11)10(15)16-2/h3-4,14H,1-2H3,(H,12,13)
(3)InChIKey: LNWKABRRGNSRPQ-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C10H10ClNO4/c1-5(13)12-8-4-9(14)6(3-7(8)11)10(15)16-2/h3-4,14H,1-2H3,(H,12,13)
(5)Std. InChIKey: LNWKABRRGNSRPQ-UHFFFAOYSA-N