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145-73-3

145-73-3 structural image
Product Name: ENDOTHAL
Formula: C8H10O5
Synonyms: 7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic Acid;Endothall - CAS 145-73-3 - Calbiochem
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description The monohydrate is in the form of colorless crystals. Non corrosive. Used as a selective herbicide.
Color/Form Cyrstalline, white solid
Odor Odorless
Melting Point Converted to anhydride at 90 °C
Solubility In water, 1.0X10+5 mg/L at 20 °C
Density 1.431
Vapor Pressure 1.57X10-10 mm Hg at 24 °C
LogP log Kow = 1.91
Stability/Shelf Life Stable to about 90 °C, at which temperature it undergoes slow conversion to anhydride; stable in acid and light.
Decomposition When heated to decomposition it emits acrid smoke and fumes.
Corrosivity Non-corrosive to metals
Dissociation Constants pKa1 = 3.40; pKa2 = 6.7
Kovats Retention Index 1479.1
Other Experimental Properties When heated rapidly melts at about 144 C, decomposing into anhydride and water
Chemical Classes Pesticides -> Herbicides, Other

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral
H312:Acute toxicity,dermal
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
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.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 186.16 g/mol
XLogP3 -0.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 186.05282342 g/mol
Monoisotopic Mass 186.05282342 g/mol
Topological Polar Surface Area 83.8 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 235
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 4
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

The monohydrate is in the form of colorless crystals. Non corrosive. Used as a selective herbicide.