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5-Amino-2-chloro-4-fluorophenol

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Name

5-Amino-2-chloro-4-fluorophenol

EINECS N/A
CAS No. 84478-72-8 Density 1.519 g/cm3
PSA 46.25000 LogP 2.34810
Solubility N/A Melting Point 157-160 °C
Formula C6H5ClFNO Boiling Point 271.9 °C at 760 mmHg
Molecular Weight 161.563 Flash Point 118.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 84478-72-8 (5-amino-2-chloro-4-fluoro-phenol) Hazard Symbols N/A
Synonyms

2-Chloro-4-fluoro-5-aminophenol;2-Fluoro-4-chloro-5-hydroxyaniline;4-Chloro-2-fluoro-5-hydroxyaniline;5-Amino-2-chloro-4-fluorophenol;

Article Data 5

5-Amino-2-chloro-4-fluorophenol Specification

The 5-Amino-2-chloro-4-fluorophenol, with the CAS registry number 84478-72-8, is also known as 2-Chloro-4-fluoro-5-amino phenol. It belongs to the product category of API Intermediates. This chemical's molecular formula is C6H5ClFNO and molecular weight is 161.5614. What's more, both its IUPAC name and systematic name are the same which is called 5-Amino-2-chloro-4-fluorophenol.

Physical properties about 5-Amino-2-chloro-4-fluorophenol are: (1) ACD/LogP: 1.25; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.25; (4) ACD/LogD (pH 7.4): 1.22; (5) ACD/BCF (pH 5.5): 5.26; (6) ACD/BCF (pH 7.4): 4.88; (7) ACD/KOC (pH 5.5): 114.18; (8) ACD/KOC (pH 7.4): 105.8; (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: 1.618; (14) Molar Refractivity: 37.25 cm3; (15) Molar Volume: 106.3 cm3; (16) Surface Tension: 56.2 dyne/cm; (17) Density: 1.519 g/cm3; (18) Flash Point: 118.2 °C; (19) Enthalpy of Vaporization: 53.07 kJ/mol; (20) Boiling Point: 271.9 °C at 760 mmHg; (21) Vapour Pressure: 0.00377 mmHg at 25 °C; (22) Melting Point: 157-160 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(F)c(N)cc1O
(2) InChI: InChI=1/C6H5ClFNO/c7-3-1-4(8)5(9)2-6(3)10/h1-2,10H,9H2
(3) InChIKey: AFZLCOLNTRPSIF-UHFFFAOYAM

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