3-Cyano-7-hydroxy-4-methylcoumarin

Base Information

• Chemical Name: 3-Cyano-7-hydroxy-4-methylcoumarin
• CAS No.: 2829-46-1
• Molecular Formula: C11H7NO3
• Molecular Weight: 201.181
• Hs Code.: 2932209090
• European Community (EC) Number: 626-059-8
• DSSTox Substance ID: DTXSID00419830
• Nikkaji Number: J3.228.127C
• Wikidata: Q82231040
• Pharos Ligand ID: PDVDWAJMD5GA
• Metabolomics Workbench ID: 74184
• ChEMBL ID: CHEMBL593427
• Mol file: 2829-46-1.mol

Synonyms:2829-46-1;3-Cyano-7-hydroxy-4-methylcoumarin;7-hydroxy-4-methyl-2-oxo-2H-chromene-3-carbonitrile;7-hydroxy-4-methyl-2-oxochromene-3-carbonitrile;CHEMBL593427;SCHEMBL1133508;DTXSID00419830;GLGBPOSQDAZSIZ-UHFFFAOYSA-N;CAA82946;3-Cyano-4-methyl-7-hydroxycoumarin;BDBM50305319;AKOS005258622;3-Cyano-7-hydroxy-4-methylcoumarin, 97%;CS-0336045;E85565;J-017037;4-ACETAMIDOPHENYL4-GUANIDINOBENZOATEHYDROCHLORIDE;InChI=1/C11H7NO3/c1-6-8-3-2-7(13)4-10(8)15-11(14)9(6)5-12/h2-4,13H,1H

Chemical Property of 3-Cyano-7-hydroxy-4-methylcoumarin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 300-304 °C
• Refractive Index: 1.641
• Boiling Point: 429.72 °C at 760 mmHg
• Flash Point: 213.687 °C
• PSA: 74.23000
• Density: 1.433 g/cm³
• LogP: 1.67868
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 201.042593085
• Heavy Atom Count: 15
• Complexity: 377

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Cyano-7-hydroxy-4-methylcoumarin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)O)C#N
• Uses: 3-Cyano-7-hydroxy-4-methylcoumarin (CHMC) may be used as reagent for the stereo-specific preparation of RP- and SP-O-alkyl methylphosphonyl-CHMC esters.