6-Bromo-2,4,5-trichlorophenol - CAS 4524-78-1
Catalog: |
BB025798 |
Product Name: |
6-Bromo-2,4,5-trichlorophenol |
CAS: |
4524-78-1 |
Synonyms: |
Phenol, 2-bromo-3,4,6-trichloro- |
IUPAC Name: | 2-bromo-3,4,6-trichlorophenol |
Description: | 6-Bromo-2,4,5-trichlorophenol (CAS# 4524-78-1 ) is a useful research chemical. |
Molecular Weight: | 276.34 |
Molecular Formula: | C6H2BrCl3O |
Canonical SMILES: | C1=C(C(=C(C(=C1Cl)Cl)Br)O)Cl |
InChI: | InChI=1S/C6H2BrCl3O/c7-4-5(10)2(8)1-3(9)6(4)11/h1,11H |
InChI Key: | IFXJBIXHNZHYGK-UHFFFAOYSA-N |
Boiling Point: | 275.1±35.0°C at 760 mmHg |
Melting Point: | 81-82°C |
Purity: | ≥95% |
Density: | 1.975±0.06 g/cm3 |
MDL: | MFCD03093915 |
LogP: | 4.11490 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
GB-1037571-A | Acaricidal compositions | 19630430 |
US-2725402-A | Selective reduction of chlorobromophenols | 19511224 |
US-2362464-A | Amine salts of polyhalo-phenols | 19410430 |
PMID | Publication Date | Title | Journal |
17999054 | 20080201 | Molecular characterization of brominated persistent pollutants using extended X-ray absorption fine structure (EXAFS) spectroscopy | Analytical and bioanalytical chemistry |
Complexity: | 146 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 273.83546 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 273.83546 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.5 |
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