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6515-38-4

6515-38-4 structural image
Product Name: 3,5,6-Trichloro-2-pyridinol
Formula: C5H2Cl3NO
Synonyms: 2,3,5-Trichloro-6-hydroxypyridine;3,5,6-Trichloro-2-pyridone;TCP
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Water or Solvent Wet Solid
Melting Point 208 - 209 °C
LogP 3.21
Collision Cross Section 130.45 Ų [M+H]+

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Exclamation Mark
Irritant
GHS07

Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H318:Serious eye damage/eye irritation
H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 198.43 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 196.920197 g/mol
Monoisotopic Mass 196.920197 g/mol
Topological Polar Surface Area 29.1 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 243
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

3,5,6-trichloro-2-pyridinol is a hydroxypyridine that is pyridin-2-ol substituted by chloro groups at positions 3,5 and 6. It is a metabolite of the agrochemical chlorpyrifos. It has a role as a human urinary metabolite and a human xenobiotic metabolite. It is a chloropyridine and a hydroxypyridine. It is a tautomer of a 3,5,6-trichloropyridine-2-one.