Basic information
- Name:
Benzoic acid,4-amino-2-hydroxy-, methyl ester
- Superlist Name:
- Methyl 4-aminosalicylate
- CAS No.:
4136-97-4
- Molecular Structure:
- Formula:
- C8H9NO3
- Molecular Weight:
- 167.16
- Synonyms:
- Salicylicacid, 4-amino-, methyl ester (6CI,7CI,8CI);2-Hydroxy-4-aminobenzoic acidmethyl ester;3-Hydroxy-4-methoxycarbonylaniline;4-Amino-2-hydroxybenzoic acidmethyl ester;4-Aminosalicylic acid methyl ester;Methyl 2-hydroxy-4-aminobenzoate;Methyl 4-amino-2-hydroxybenzoate;Methyl p-aminosalicylate;p-Aminosalicylic acid methyl ester;
- Density:
- 1.305 g/cm3
- Boiling Point:
- 329.5 °C at 760 mmHg
- Flash Point:
- 153.1 °C
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Specification
The CAS registry number of Benzoic acid,4-amino-2-hydroxy-, methyl ester is 4136-97-4. Its EINECS registry number is 223-958-3. The IUPAC name is methyl 4-amino-2-hydroxybenzoate. In addition, the molecular formula is C8H9NO3 and the molecular weight is 167.16. What's more, it should be stored in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 1.59; (2)ACD/LogD (pH 5.5): 1.59; (3)ACD/LogD (pH 7.4): 1.59; (4)ACD/BCF (pH 5.5): 9.55; (5)ACD/BCF (pH 7.4): 9.51; (6)ACD/KOC (pH 5.5): 174.98; (7)ACD/KOC (pH 7.4): 174.24; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 38.77 Å2; (12)Index of Refraction: 1.605; (13)Molar Refractivity: 44.14 cm3; (14)Molar Volume: 128 cm3; (15)Polarizability: 17.49 ×10-24cm3; (16)Surface Tension: 57.7 dyne/cm; (17)Density: 1.305 g/cm3; (18)Flash Point: 153.1 °C; (19)Enthalpy of Vaporization: 59.47 kJ/mol; (20)Boiling Point: 329.5 °C at 760 mmHg; (21)Vapour Pressure: 9.21E-05 mmHg at 25°C.
Preparation of Benzoic acid,4-amino-2-hydroxy-, methyl ester: it can be prepared by diazomethane and 4-amino-2-hydroxy-benzoic acid. This reaction will need solvent diethyl ether. The reaction time is 20 minutes at reaction temperature of 25 °C. The yield is about 100%.
Uses of Benzoic acid,4-amino-2-hydroxy-, methyl ester: it can react with acetic acid anhydride to get 4-acetylamino-2-hydroxy-benzoic acid methyl ester. This reaction will need solvent ethanol. The reaction time is 3.5 hours at reaction temperature of 45 °C. The yield is about 94%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ccc(cc1O)N
(2)InChI: InChI=1/C8H9NO3/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,10H,9H2,1H3
(3)InChIKey: QQOXBFUTRLDXDP-UHFFFAOYAH
