Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Bromo-4-chlorophenol |
EINECS | N/A |
CAS No. | 13659-24-0 | Density | 1.788g/cm3 |
PSA | 20.23000 | LogP | 2.80810 |
Solubility | N/A | Melting Point |
57 °C |
Formula | C6H4BrClO | Boiling Point | 273.095 °C at 760 mmHg |
Molecular Weight | 207.454 | Flash Point | 118.964 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:; |
|
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-Bromo-4-chlorophenol; |
Article Data | 7 |
The Phenol,3-bromo-4-chloro-, with CAS registry number 13659-24-0, belongs to the following product categories: (1)Aromatic Phenols; (2)Phenol & Thiophenol & Mercaptan; (3)Bromine Compounds; (4)Chlorine Compounds; (5)Phenols. It has the systematic name of 3-bromo-4-chlorophenol. And the chemical formula of this chemical is C6H4BrClO.
Physical properties of Phenol,3-bromo-4-chloro-: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 261; (6)ACD/BCF (pH 7.4): 245; (7)ACD/KOC (pH 5.5): 1870; (8)ACD/KOC (pH 7.4): 1750; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 40.72 cm3; (15)Molar Volume: 115.999 cm3; (16)Polarizability: 16.143×10-24cm3; (17)Surface Tension: 50.126 dyne/cm; (18)Density: 1.788 g/cm3; (19)Flash Point: 118.964 °C; (20)Enthalpy of Vaporization: 53.2 kJ/mol; (21)Boiling Point: 273.095 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(O)cc1Br
(2)InChI: InChI=1/C6H4BrClO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H
(3)InChIKey: JLFFHIKASCUQRL-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C6H4BrClO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H
(5)Std. InChIKey: JLFFHIKASCUQRL-UHFFFAOYSA-N