58-27-5
Product Name:
Menadione
Formula:
C11H8O2
Synonyms:
2-Methyl-1,4-naphthoquinone;Menadione;MN;Vitamin K3
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Bright yellow solid with a very mild acrid odor; [Merck Index] |
|---|---|
| Color/Form | Bright yellow crystals |
| Odor | Very faint acrid odor |
| Melting Point | 107 °C |
| Solubility | 160 mg/L (at 30 °C) |
| Vapor Pressure | 0.000188 [mmHg] |
| LogP | 2.2 |
| LogS | -3.03 |
| Stability/Shelf Life | Stable in air; decomp by sunlight. ... Destroyed by alkalies and reducing agents. |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| pH | Alc soln is neutral to litmus |
| Collision Cross Section | 134.6 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Kovats Retention Index | 1496.1 |
| Other Experimental Properties | Destroyed by alkalies and reducing agents. Solutions may be heated to 120 °C without dec. |
| Chemical Classes | Biological Agents -> Vitamins and Derivatives |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H334:Sensitisation, respiratory H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P273:Avoid release to the environment. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 172.18 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 172.052429494 g/mol |
| Monoisotopic Mass | 172.052429494 g/mol |
| Topological Polar Surface Area | 34.1 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 289 |
| 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
Menadione is a member of the class of 1,4-naphthoquinones that is 1,4-naphthoquinone which is substituted at position 2 by a methyl group. It is used as a nutritional supplement and for the treatment of hypoprothrombinemia. It has a role as a nutraceutical, a human urinary metabolite, an angiogenesis inhibitor, an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor and an antineoplastic agent. It is a member of 1,4-naphthoquinones and a vitamin K.