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3861-47-0

3861-47-0 structural image
Product Name: IOXYNIL OCTANOATE
Formula: C15H17I2NO2
Synonyms: 3,5-Diiodo-4-hydroxybenzonitrile octanoate
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 2737

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H317:Sensitisation, Skin
H319:Serious eye damage/eye irritation
H361:Reproductive toxicity
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P201:Obtain special instructions before use.
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 497.11 g/mol
XLogP3 5.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 8
Exact Mass 496.93487 g/mol
Monoisotopic Mass 496.93487 g/mol
Topological Polar Surface Area 50.1 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 341
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

Ioxynil octanoate is a benzoate ester and a member of phenols.