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| CAS No.: | 2040-88-2 |
|---|---|
| Name: | 2-bromo-6-chloro-phenol |
| Article Data: | 20 |
| Molecular Structure: | |
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| Formula: | C6H4BrClO |
| Molecular Weight: | 207.454 |
| Synonyms: | 2-chloro-6-bromophenol;2-Bromo-6-chlorophenol; |
| Density: | 1.788 g/cm3 |
| Melting Point: | 50-52 °C |
| Boiling Point: | 204.6 °C at 760 mmHg |
| Flash Point: | 77.5 °C |
| PSA: | 20.23000 |
| LogP: | 2.80810 |
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Specification
The Phenol,2-bromo-6-chloro- is an organic compound with the formula C6H4BrClO. With the CAS registry number 2040-88-2, the IUPAC name of this chemical is 2-bromo-6-chlorophenol.
Physical properties about Phenol,2-bromo-6-chloro- are: (1)ACD/LogP: 2.98; (2)ACD/LogD (pH 5.5): 2.96; (3)ACD/LogD (pH 7.4): 2.4; (4)ACD/BCF (pH 5.5): 104.08; (5)ACD/BCF (pH 7.4): 28.58; (6)ACD/KOC (pH 5.5): 958.09; (7)ACD/KOC (pH 7.4): 263.12; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.619; (13)Molar Refractivity: 40.71 cm3; (14)Molar Volume: 115.9 cm3; (15)Polarizability: 16.14×10-24cm3; (16)Surface Tension: 50.1 dyne/cm; (17)Density: 1.788 g/cm3; (18)Flash Point: 77.5 °C; (19)Enthalpy of Vaporization: 45.88 kJ/mol; (20)Boiling Point: 204.6 °C at 760 mmHg; (21)Vapour Pressure: 0.183 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc(Br)c1O
(2)InChI: InChI=1/C6H4BrClO/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
(3)InChIKey: LUECOFFMVWPWDR-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C6H4BrClO/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
(5)Std. InChIKey: LUECOFFMVWPWDR-UHFFFAOYSA-N