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2595-54-2

2595-54-2 structural image
Product Name: MECARBAM
Formula: C10H20NO5PS2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colorless or light brown to pale yellow liquid; [HSDB] Light yellow oily liquid; [MSDSonline]
Color/Form COLORLESS OILY LIQ WHEN PURE
Boiling Point 144 °C @ 0.02 mm Hg
Melting Point < 25 °C
Solubility AT ROOM TEMP LESS THAN 1 G/L WATER; LESS THAN 50 G/KG IN ALIPHATIC HYDROCARBONS; MISCIBLE WITH ALCOHOLS, AROMATIC AND CHLORINATED HYDROCARBONS, KETONES, ESTERS AT ROOM TEMPERATURE
Density 1.222 @ 20 °C/20 °C
Vapor Density Relative vapor density (air = 1): 11.4
Vapor Pressure Negligible at room temp
LogP 2.29 (estimated)
Stability/Shelf Life HYDROLYZED BELOW PH 3
Ionization Efficiency Positive
Refractive Index INDEX OF REFRACTION: 1.5138 @ 20 °C/D
Kovats Retention Index 2010 2044 2052 2038.2 2020 2030 2038.1
Other Experimental Properties Technical grade is greater than or equal to 85% pure; the technical product slowly attacks metals /technical product/
Chemical Classes Pesticides -> Organophosphate Insecticides

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Environment
GHS09
GHS Hazard Statements H311:Acute toxicity,dermal
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 329.4 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 9
Exact Mass 329.05205208 g/mol
Monoisotopic Mass 329.05205208 g/mol
Topological Polar Surface Area 123 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 343
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

Mecarbam is an organic thiophosphate that is O,O-diethyl hydrogen phosphorodithioate in which the hydrogen attached to a sulfur is replaced by a 2-[(ethoxycarbonyl)(methyl)amino]-2-oxoethyl group. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an acaricide and an agrochemical. It is an organic thiophosphate, an organothiophosphate insecticide and a carbamate ester.