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156052-68-5

156052-68-5 structural image
Product Name: ZOXAMIDE
Formula: C14H16Cl3NO2
Synonyms: 3,5-Dichloro-N-(3-chloro-1-ethyl-1-methyl-2-oxopropyl)-4-methylbenzamide
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description White solid; [Merck Index] Odor like liquorice; [HSDB] White odorless powder; [MSDSonline]
Color/Form White solid
Odor Licorice-like odor
Melting Point 158-160 °C
Solubility In water, 0.681 mg/L at 20 °C
Density 1.38 g/cu m at 20 °C
Vapor Pressure 0.00000001 [mmHg]
LogP log Kow = 3.76 at 20 °C
Stability/Shelf Life Stable under recommended storage conditions.
Decomposition When heated to decomposition it emits toxic vapors of /nitrogen oxides/ and /chloride/.
pH pH = 6.9 at 24.3 °C
Kovats Retention Index 2428
Chemical Classes Pesticides -> Fungicides

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Environment
GHS09
GHS Hazard Statements H317:Sensitisation, Skin
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P272:Contaminated work clothing should not be allowed out of the workplace.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 336.6 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 5
Exact Mass 335.024662 g/mol
Monoisotopic Mass 335.024662 g/mol
Topological Polar Surface Area 46.2 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 365
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide is a member of the class of benzamides obtained by formal condensation of the carboxy group of 3,5-dichloro-4-methylbenzamide with the amino group of 3-amino-1-chloro-3-methylpentan-2-one. It is a member of benzamides, an alpha-chloroketone and a dichlorobenzene.