Phenol, 2,4,5-tribromo- supplier

Name
2,4,5-TRIBROMOPHENOL
EINECS
CAS No. 14401-61-7
Article Data9
CAS DataBase
Density 2.424 g/cm³
Solubility
Melting Point
Formula C₆H₃Br₃O
Boiling Point 295.3 °C at 760 mmHg
Molecular Weight 330.801
Flash Point 132.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,4,5-Tribromophenol;
PSA 20.23000
LogP 3.67970

Phenol, 2,4,5-tribromo- Specification

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

Product Name

2,4,5-TRIBROMOPHENOL

Phenol, 2,4,5-tribromo- Specification

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