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| CAS No.: | 863870-87-5 |
|---|---|
| Name: | 3-BROMO-2-CHLOROPHENOL |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C6H4BrClO |
| Molecular Weight: | 207.454 |
| Synonyms: | 3-BROMO-2-CHLOROPHENOL |
| Density: | 1.788 g/cm3 |
| Melting Point: | 60 °C |
| Boiling Point: | 246.1 °C at 760 mmHg |
| Flash Point: | 102.7 °C |
| PSA: | 20.23000 |
| LogP: | 2.80810 |
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Specification
The Phenol, 3-bromo-2-chloro-, its CAS registry number is 863870-87-5. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C6H4BrClO and molecular weight is 207.45. What's more, its IUPAC name is 3-Bromo-2-chlorophenol.
Physical properties about Phenol, 3-bromo-2-chloro- are: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.09; (4)ACD/LogD (pH 7.4): 2.86; (5)ACD/BCF (pH 5.5): 131.58; (6)ACD/BCF (pH 7.4): 76.32; (7)ACD/KOC (pH 5.5): 1141.26; (8)ACD/KOC (pH 7.4): 661.98; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 40.71 cm3; (15)Molar Volume: 115.9 cm3; (16)Surface Tension: 50.1 dyne/cm; (17)Density: 1.788 g/cm3; (18)Flash Point: 102.7 °C; (19)Enthalpy of Vaporization: 50.28 kJ/mol; (20)Boiling Point: 246.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0176 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(O)cccc1Br
(2) InChI: InChI=1/C6H4BrClO/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
(3) InChIKey: DUKKNDLIWRYBCT-UHFFFAOYAG