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87674-68-8

87674-68-8 structural image
Product Name: Dimethenamid
Formula: C12H18ClNO2S
Synonyms: 2-Chloro-N-(2,4-dimethyl-3-thienyl)-N-(2-methoxy-1-methylethyl)acetamide
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form Yellowish-brown, viscous liquid
Odor Odorless to weak tar-like odor
Boiling Point BP: 127 °C at 26.7 Pa
Solubility In water, 1174 mg/L at 25 °C
Density 1.187 at 25 °C
Vapor Pressure VP: 36.7 mPa at 25 °C
LogP log Kow = 2.15
Henry's Law Constant Henry's Law constant = 8.21X10-8 atm-cu m/mole (8.32X10-3 Pa-cu m/mol) at 25 °C
Stability/Shelf Life Stable under recommended storage conditions.
Kovats Retention Index 1852.2
Other Experimental Properties Mixture of 4 stereoisomers (1RS,aRS)

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P273:Avoid release to the environment.
P391:Collect spillage. Hazardous to the aquatic environment
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 275.80 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 275.0746777 g/mol
Monoisotopic Mass 275.0746777 g/mol
Topological Polar Surface Area 57.8 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 265
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

2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide is an organochlorine compound that is 2-chloroacetamide substituted by a 2,4-dimethylthiophen-3-yl and a 1-methoxypropan-2-yl group at the nitrogen atom. It is a member of thiophenes, an aromatic amide, an ether and an organochlorine compound.