518-82-1
Product Name:
Emodin
Formula:
C15H10O5
Synonyms:
Emodin;Archin;Rheum emodin;Emodol;Frangula-emodin
Inquiry
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)