Compound Selection

Formula: C11H8O2

MW: 172.18

CAS: 58-27-5

MDL NUMBER: MFCD00001681

IUPAC: 2-methylnaphthalene-1,4-dione

Smiles: C1(C(=CC(=O)c2c1cccc2)C)=O

THERAPEUTIC CATEGORY: Vitamin (Prothrombogenic)

ACCEPTORS: 2

DONORS: 0

ROTATION BONDS: 0

N+O: 2

Chiral Centers: 0

LogP: 1.25

LogS: -3.15

LIPINSKI: 4

Synonyms: 2-METHYLNAPHTHOQUINONE;2-METHYL-1,4-DIHYDRONAPHTHALENE-1,4-DIONE;2-METHYL-1,4-NAPHTHOQUINONE;2-METHYL-1,4-NAPHTHAQUINONE;MENAPHTHON;MENAPHTHONE;MENADIONE;THYLOQUINONE

CAS:58-27-5

MF:C11H8O2

MW:172.18

EINECS:200-372-6

Product Categories:Biochemistry;Vitamins;Nutritional fortification substances;Vitamins and derivatives;Vitamin Ingredients;Miscellaneous Compounds Menadione

Chemical Properties: mp 105-107 C(lit.) storage temp. Store at RT. solubility oil: soluble form crystalline color yellow Water Solubility INSOLUBLE Sensitive Light Sensitive Merck 14,5831 BRN 1908453 Stability:Stable. May be light sensitive. Incompatible with strong oxidizing agents.

CAS DataBase Reference: 58-27-5(

CAS DataBase Reference: ) NIST Chemistry ReferenceMenadione(58-27-5) EPA Substance Registry System1,4-Naphthalenedione, 2-methyl-(58-27-5) Xn,Xi Risk Statements 22-36/37/38-43 Safety Statements 26-36-37/39-24 WGK Germany 3 RTECS QL9100000 F 8 Hazardous Substances Data58-27-5(Hazardous Substances Data) Menadione

Usage And Synthesis:

Chemical Properties: Bright yellow crystals Menadione

Chemical Compounds - BioActive Compounds

Structure Search Shop Online Download Databases Request a CD
Structure Search eChemStore Download Request CD

Site Search

Compound Search

share

FacebookTwitterLinkedin

Contact Us

Toll Free 800-574-7391
Phone: 302-292-8500
Fax: 302-292-8520

Chem-TCM is the digital database of molecules from plants used in the traditional Chinese medicine
MyriaScreen II – diversity screening library from Sigma-Aldrich and TimTec
ApexScreen is a collection of 5,040 compounds that were selected to represent the diversity of TimTec stock
Chemistry reagents, HPLC columns, natural compounds
innovative software packages for chemical database management, chemical web server, structure drawing, diversity analysis, clustering, HTS and combinatorial chemistry, prediction of LogP/solubility/Pk, and Spectra Management