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145701-23-1

145701-23-1 structural image
Product Name: FLORASULAM
Formula: C12H8F3N5O3S
Synonyms: N-(2,6-Difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form Solid
Melting Point 220-221 °C (decomposes); also reported as 193.5-230.5 °C
Solubility In n-heptane 0.019X10-3; xylene 0.227; n-octanol 0.184 (all in g/L solution, 20 °C). In dichloroethane 3.75; methanol 9.81; acetone 123; ethyl acetate 15.9; acetonitrile 72.1( all in g/L solvent, 20 °C)
Density 1.53
Vapor Pressure 1X10-2 mPa /7.501X10-8 mm Hg/ at 25 °C
LogP log Kow = -1.22 (pH 7.0)
Stability/Shelf Life Hydrolytically stable for 30 days (pH 5 and 7); DT50 100 days (pH 9) (all 25 °C)
Dissociation Constants pKa = 4.54

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

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

COMPUTED DESCRIPTORS

Molecular Weight 359.29 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 4
Exact Mass 359.02999479 g/mol
Monoisotopic Mass 359.02999479 g/mol
Topological Polar Surface Area 107 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 541
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

Florasulam is a sulfonamide.