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CAS No.: | 14401-61-7 |
---|---|
Name: | 2,4,5-TRIBROMOPHENOL |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C6H3Br3O |
Molecular Weight: | 330.801 |
Synonyms: | 2,4,5-Tribromophenol; |
Density: | 2.424 g/cm3 |
Boiling Point: | 295.3 °C at 760 mmHg |
Flash Point: | 132.4 °C |
PSA: | 20.23000 |
LogP: | 3.67970 |
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The CAS registry number of Phenol, 2,4,5-tribromo- is 14401-61-7. This chemical's molecular formula is C6H3Br3O and molecular weight is 330.79942. What's more, both its IUPAC name and systematic name are the same which is called 2,4,5-Tribromophenol.
Physical properties about Phenol, 2,4,5-tribromo- are: (1) ACD/LogP: 4.47; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 4.46; (4) ACD/LogD (pH 7.4): 3.86; (5) ACD/BCF (pH 5.5): 1423.4; (6) ACD/BCF (pH 7.4): 363.85; (7) ACD/KOC (pH 5.5): 6224.01; (8) ACD/KOC (pH 7.4): 1591; (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: 1.674; (14) Molar Refractivity: 51.2 cm3; (15) Molar Volume: 136.4 cm3; (16) Surface Tension: 56.3 dyne/cm; (17) Density: 2.424 g/cm3; (18) Flash Point: 132.4 °C; (19) Enthalpy of Vaporization: 55.64 kJ/mol; (20) Boiling Point: 295.3 °C at 760 mmHg; (21) Vapour Pressure: 0.000876 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(O)c(Br)cc1Br
(2) InChI: InChI=1/C6H3Br3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
(3) InChIKey: XPUSKKJATQFMBF-UHFFFAOYAE