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2631-40-5

2631-40-5 structural image
Product Name: Isoprocarb
Formula: C11H15NO2
Synonyms: 2-Isopropylphenyl N-methylcarbamate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 88 - 93 °C
Solubility 0.4 mg/mL at 25 °C
LogP 2.31
Kovats Retention Index 1481 1489.5 1504.9 1493 1548

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.

COMPUTED DESCRIPTORS

Molecular Weight 193.24 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 193.110278721 g/mol
Monoisotopic Mass 193.110278721 g/mol
Topological Polar Surface Area 38.3 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 192
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

Isoprocarb is a carbamate ester. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a carbamate insecticide and an agrochemical. It is functionally related to a methylcarbamic acid and a 2-isopropylphenol.