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23103-98-2

23103-98-2 structural image
Product Name: Pirimicarb
Formula: C11H18N4O2
Synonyms: 2-Dimethylamino-5,6-dimethyl-4-pyrimidinyl dimethylcarbamate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colorless solid; [HSDB]
Color/Form Colorless solid
Melting Point 90.5 °C
Solubility 4 g/l in acetone @ 25 °C; 2.5 g/l in ethanol at 25 °C; 2.9 g/l in xylene at 25 °C; 3.3 g/l in chloroform at 25 °C
Density 1.21 g/cu cm
Vapor Pressure 0.00000728 [mmHg]
LogP log Kow = 1.7
Stability/Shelf Life Pirimicarb is stable for at least 2 yr under normal storage conditions.
Decomposition When heated to decomposition it emits toxic fumes of /nitrogen oxides/.
Dissociation Constants pKa = 4.53
Collision Cross Section 154.68 Ų [M+H]+ [CCS Type: TW]
Kovats Retention Index 1796 1807 1810 1816 1816 1816.2 1810.3 1813 1803.1 1817 1818.7 1826.1 1819.3
Chemical Classes Pesticides -> Carbamate Insecticides

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H317:Sensitisation, Skin
H351:Carcinogenicity
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P202:Do not handle until all safety precautions have been read and understood.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P302+P352:IF ON SKIN: wash with plenty of soap and water.

COMPUTED DESCRIPTORS

Molecular Weight 238.29 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 238.14297583 g/mol
Monoisotopic Mass 238.14297583 g/mol
Topological Polar Surface Area 58.6 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 270
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

Pirimicarb is an aminopyrimidine that is N,N,4,5-tetramethylpyrimidin-2-amine substituted by a (dimethylcarbamoyl)oxy group at position 4. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a carbamate insecticide, an agrochemical, an environmental contaminant, a xenobiotic and an insecticide. It is a carbamate ester, an aminopyrimidine and a tertiary amino compound. It is functionally related to a dimethylcarbamic acid.