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| CAS No.: | 13659-23-9 |
|---|---|
| Name: | 2-Bromo-5-chlorophenol |
| Article Data: | 8 |
| Molecular Structure: | |
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|
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| Formula: | C6H4BrClO |
| Molecular Weight: | 207.454 |
| Synonyms: | 2-Bromo-5-chlorophenol |
| Density: | 1.788 g/cm3 |
| Boiling Point: | 222.158 °C at 760 mmHg |
| Flash Point: | 88.159 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| PSA: | 20.23000 |
| LogP: | 2.80810 |
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Specification
The Phenol,2-bromo-5-chloro- is an organic compound with the formula C6H4BrClO. With the CAS registry number 13659-23-9, the IUPAC name of this chemical is 2-bromo-5-chlorophenol. Besides, it should be stored in a cool place.
Physical properties about Phenol,2-bromo-5-chloro- are: (1)ACD/LogP: 3.05; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 196; (5)ACD/BCF (pH 7.4): 107; (6)ACD/KOC (pH 5.5): 1519; (7)ACD/KOC (pH 7.4): 826; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 20.23 Å2; (12)Index of Refraction: 1.619; (13)Molar Refractivity: 40.72 cm3; (14)Molar Volume: 115.999 cm3; (15)Polarizability: 16.143×10-24cm3; (16)Surface Tension: 50.126 dyne/cm; (17)Density: 1.788 g/cm3; (18)Flash Point: 88.159 °C; (19)Enthalpy of Vaporization: 47.728 kJ/mol; (20)Boiling Point: 222.158 °C at 760 mmHg; (21)Vapour Pressure: 0.069 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(Br)c(O)c1
(2)InChI: InChI=1/C6H4BrClO/c7-5-2-1-4(8)3-6(5)9/h1-3,9H
(3)InChIKey: FMRKYXVZQWHGDA-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C6H4BrClO/c7-5-2-1-4(8)3-6(5)9/h1-3,9H
(5)Std. InChIKey: FMRKYXVZQWHGDA-UHFFFAOYSA-N