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53524-27-9

Basic Information
CAS No.: 53524-27-9
Name: 2-AMINO-4-CHLORO-5-METHYL PHENOL
Article Data: 13
Molecular Structure:
Molecular Structure of 53524-27-9 (2-AMINO-4-CHLORO-5-METHYL PHENOL)
Formula: C7H8ClNO
Molecular Weight: 157.6
Synonyms: 2-Amino-4-chloro-5-methylphenol;2-Hydroxy-5-chloro-4-methylaniline;
EINECS: 258-606-8
Density: 1.331 g/cm3
Boiling Point: 281.5 °C at 760 mmHg
Flash Point: 124 °C
PSA: 46.25000
LogP: 2.51740
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Specification

This chemical has the IUPAC name 2-Amino-4-chloro-5-methylphenol. With the CAS registry number 53524-27-9, it is also known as phenol, 2-amino-4-chloro-5-methyl-. Its molecular formula is C7H8ClNO and its molecular weight is 157.59752. Additionally, its EINECS is 258-606-8.

Physical properties about 2-Amino-4-chloro-5-methylphenol are: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 23.27; (6)ACD/BCF (pH 7.4): 24.13; (7)ACD/KOC (pH 5.5): 326.76; (8)ACD/KOC (pH 7.4): 338.82; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 42.09 cm3; (15)Molar Volume: 118.3 cm3; (16)Surface Tension: 54.5 dyne/cm; (17)Density: 1.331 g/cm3; (18)Flash Point: 124 °C; (19)Enthalpy of Vaporization: 54.12 kJ/mol; (20)Boiling Point: 281.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00209 mmHg at 25°C.

Uses of the 2-Amino-4-chloro-5-methylphenol: It reacts with butynedioic acid dimethyl ester to get (6-chloro-7-methyl-2-oxo-4H-benzo[1,4]oxazin-3-ylidene)-acetic acid methyl ester. This reaction needs solvent ethanol. It should be taken for 3 hours at temperature of 0 °C. Besides, its yield is 86 %.

the 2-Amino-4-chloro-5-methylphenol reacts with butynedioic acid dimethyl ester to get (6-chloro-7-methyl-2-oxo-4H-benzo[1,4]oxazin-3-ylidene)-acetic acid methyl ester

You can still convert the following datas into molecular structure:
1.SMILES: Clc1cc(c(O)cc1C)N
2.InChI: InChI=1/C7H8ClNO/c1-4-2-7(10)6(9)3-5(4)8/h2-3,10H,9H2,1H3 
3.InChIKey: QDGJHZNOQSIFAT-UHFFFAOYAC
4.Std. InChI: InChI=1S/C7H8ClNO/c1-4-2-7(10)6(9)3-5(4)8/h2-3,10H,9H2,1H3