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CAS No.: | 56962-01-7 |
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Name: | Phenol, 3-amino-2-chloro- |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C6H6ClNO |
Molecular Weight: | 143.573 |
Synonyms: | 2-Chloro-3-aminophenol; |
Density: | 1.406 g/cm3 |
Melting Point: | 110-111 °C |
Boiling Point: | 253 °C at 760 mmHg |
Flash Point: | 106.8 °C |
PSA: | 46.25000 |
LogP: | 2.20900 |
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The 3-Amino-2-chlorophenol is an organic compound with the formula C6H6ClNO. The systematic name of this chemical is 3-amino-2-chlorophenol. With the CAS registry number 56962-01-7, it is also named as 2-Chloro-3-hydroxyaniline. The product's category is Drug Intermediates.
Physical properties about 3-Amino-2-chlorophenol are: (1)ACD/LogP: 1.27; (2)ACD/LogD (pH 5.5): 1.27; (3)ACD/LogD (pH 7.4): 1.24; (4)ACD/BCF (pH 5.5): 5.47; (5)ACD/BCF (pH 7.4): 5.04; (6)ACD/KOC (pH 5.5): 117.37; (7)ACD/KOC (pH 7.4): 108.25; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 12.47 Å2; (12)Index of Refraction: 1.65; (13)Molar Refractivity: 37.26 cm3; (14)Molar Volume: 102 cm3; (15)Polarizability: 14.77×10-24cm3; (16)Surface Tension: 59.8 dyne/cm; (17)Density: 1.406 g/cm3; (18)Flash Point: 106.8 °C; (19)Enthalpy of Vaporization: 51.02 kJ/mol; (20)Boiling Point: 253 °C at 760 mmHg; (21)Vapour Pressure: 0.0118 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(N)cccc1O
(2)InChI: InChI=1/C6H6ClNO/c7-6-4(8)2-1-3-5(6)9/h1-3,9H,8H2
(3)InChIKey: CFWIOOCJVYJEID-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C6H6ClNO/c7-6-4(8)2-1-3-5(6)9/h1-3,9H,8H2
(5)Std. InChIKey: CFWIOOCJVYJEID-UHFFFAOYSA-N