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94125-34-5

94125-34-5 structural image
Product Name: Prosulfuron
Formula: C15H16F3N5O4S
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form Colorless crystals
Odor Odorless
Melting Point 155 °C (decomp.)
Flash Point 100.00 °C (212.00 °F) - closed cup
Solubility In water, 29 mg/L (pH 4.5), 87 mg/L (pH 5.0), 4000 mg/L (pH 6.8), 43000 mg/L (pH 7.7) at 25 °C
Density 1.45 g/cu cm at 20 °C
Vapor Pressure <2.63X10-8 mm Hg at 25 °C (OECD Guideline 104)
LogP log Kow = 1.5 (pH 5.0), -0.21 (pH 6.9), -0.76 (pH 9.0) at 25 °C
Stability/Shelf Life Stable under recommended storage conditions.
Dissociation Constants pKa = 3.76
Collision Cross Section 187.01 Ų [M+H]+ [CCS Type: TW]
Other Experimental Properties Henry's Law constant = <5.0X10-10 atm-cu m/mole at 25 °C (estimated from vapor pressure and water solubility (pH 4.5); calculated value at pH6.8 and pH7.7 will be even lower due to higher water solubility

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 419.4 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 6
Exact Mass 419.08750967 g/mol
Monoisotopic Mass 419.08750967 g/mol
Topological Polar Surface Area 132 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 628
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

Prosulfuron is a member of triazines.