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607-99-8

607-99-8 structural image
Product Name: 2,4,6-TRIBROMOANISOLE
Formula: C7H5Br3O
Synonyms: 2,4,6-Tribromo-1-methoxybenzene
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form Needles from ethanol
Odor Musty odor
Boiling Point 298 °C
Melting Point 88 °C
Solubility Slightly soluble in ethanol; very soluble in acetone and benzene; soluble in carbon tetrachloride
Density 2.491 g/cu cm at 25 °C
LogP log Kow = 4.48
Kovats Retention Index 1633

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Exclamation Mark
Irritant
GHS07

Environment
GHS09
GHS Hazard Statements H413:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.

COMPUTED DESCRIPTORS

Molecular Weight 344.83 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 343.78700 g/mol
Monoisotopic Mass 341.78905 g/mol
Topological Polar Surface Area 9.2 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 119
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2,4,6-Tribromoanisole is a metabolite found in or produced by Saccharomyces cerevisiae.