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81334-34-1

81334-34-1 structural image
Product Name: Imazapyr acid
Formula: C13H15N3O3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description White to tan powder; Aqueous solution: clear pale yellow to dark green liquid; [HSDB]
Color/Form Clear, slightly viscous, pale yellow to dark green aqueous liquid
Odor Slight ammonical odor
Melting Point 171 °C
Solubility In acetone 3.39, dimethyl sulfoxide 47.1, hexane 0.00095, methanol 10.5, dichloromethane 8.72, toluene 0.180 (25 °C, all in g/100 mL)
Density 0.34 g/mL
Vapor Pressure VP: <0.013 mPa at 60 °C
LogP log Kow = 0.22
Stability/Shelf Life Stable for at least 2 yr at 25 °C, 1 yr at 37 °C, & 3 months at 45 °C. Stable in aqueous media at pH 5-pH 9 in the dark; avoid storage >45 °C. In solution, the acid is decomposed in simulated sunlight; DT50 6 days at pH 5-pH 9.
Decomposition In solution, the acid is decomposed in simulated sunlight; DT50 6 days at pH 5-pH 9.
Corrosivity Corrosive to iron, mild steel, and brass, but not to #304 stainless steel
Dissociation Constants pKa = 1.81
Collision Cross Section 157.81 Ų [M+H]+ [CCS Type: DT, Method: stepped-field]
Other Experimental Properties Stable for at least 2 yrs at 25 °C, 1 year at 37 °C, and 3 months at 45 °C. Stable in aqueous media at pH 5 to pH 9 in the dark... In solution, the acid is decomposed in simulated sunlight
Chemical Classes Pesticides -> Herbicides, Imidazolinone

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H319:Serious eye damage/eye irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P337+P313:IF eye irritation persists: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 261.28 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 261.11134135 g/mol
Monoisotopic Mass 261.11134135 g/mol
Topological Polar Surface Area 91.6 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 433
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-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid is a pyridinemonocarboxylic acid that is nicotinic acid which is substituted at position 2 by a 4,5-dihydro-imidazol-2-yl group, which in turn is substituted at positions 4, 4, and 5 by isopropyl, ethyl, and oxo groups, respectively. It is a member of pyridines, a member of imidazolines, an imidazolone and a pyridinemonocarboxylic acid.