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518-82-1

518-82-1 structural image
Product Name: Emodin
Formula: C15H10O5
Synonyms: Emodin;Archin;Rheum emodin;Emodol;Frangula-emodin
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Emodin appears as orange needles or powder. (NTP, 1992)
Color/Form Orange needles from alcohol or by sublimation at 12 mm
Odor Orange crystals
Boiling Point Sublimes (NTP, 1992)
Melting Point 493 to 495 °F (NTP, 1992)
Solubility less than 1 mg/mL at 66 °F (NTP, 1992)
Stability/Shelf Life This chemcial may be sensitive to prolonged exposure to light. Solns of this chemical in water, DMSO, 95% ethanol or acetone should be stable for 24 hr under normal lab conditions (RAD).
Decomposition When heated to decomp it emits acrid smoke and irritating fumes.
Collision Cross Section 161.3 Ų [M+H]+ [CCS Type: DT, Method: stepped-field]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 270.24 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 0
Exact Mass 270.05282342 g/mol
Monoisotopic Mass 270.05282342 g/mol
Topological Polar Surface Area 94.8 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 434
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

Emodin appears as orange needles or powder. (NTP, 1992)